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NBSIR 84-2811

Definition of Recommended

Values of Certain Thermodynamic

Properties for the Ketones

Thermodynamics Research Laboratory

Box 1 1 44

Washington University

St. Louis, Missouri 63130

December 1983

Final Report to Office of Standard Reference Data, NBS

Issued January 1984

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“QC U S DEPARTMENT OF COMMERCE

100

.056

84-2311

1934

NATIONAL BUREAU OF STANDARDS

NBSIR 84-2811

DEFINITION OF RECOMMENDED

VALUES OF CERTAIN THERMODYNAMIC

PROPERTIES FOR THE KETONES

JJAT10:?AL OF ST/ 'ii ..iKDS LIERAKY QC

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Buford D. Smith and 01 Muthu

Thermodynamics Research Laboratory

Box 1 1 44

Washington University

St. Louis, Missouri 63130

December 1983

Final Report to the Office of Standard Reference Data, National

Bureau of Standards, on Grant NB 80 NADA 1047. This work was

supported by the National Science Foundation under a joint program

on Critical Compilation of Physical and Chemical Data coordinated

by the Office of Standard Reference Data.

Issued January 1984

U.S. DEPARTMENT OF COMMERCE, Malcolm Baldrige, Secretary

NATIONAL BUREAU OF STANDARDS. Ernest Ambler, Director
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Contents Page

1. Scope of Project 1

1.1. Relevant Compounds 1

1.2. Properties Covered 2

1.3. Literature Covered 3

2. Project Output 6

3. Units 8

4. Evaluation Procedures 10

4.1. Compound Constants 10

4.2. Vapor Pressure 15

4.2.1. Unit Conversion Step 15

4.2.2. Plotting Step 16

4.2.3. Correlation Step 19

4.3. Liquid Density 26

4.3.1. Unit Conversion Step 26

4.3.2. Plotting Step 27

4.3.3. Correlation Step 27

4.4. Second Virial Coefficient 32

5. Selected Values 37

5.1. Compound Constants 47

5.1.1. Formula Weight; 47

5.1.2. Melting Point 52

5.1.3. Normal Boiling Point 52

5.1.4. Critical Properties 55
Contents —Continued Page

5.1.5. Acentric Factor 56

5.1.6. Dipole Moment 57

5.1.7. Radius of Gyration 57

5.2. Vapor Pressure 58

5.2.1. Quality Ratings for Correlations 73

5.2.2. Vapor Pressure Correlations 77

5.3. Liquid Density 80

5.4. Second Virial Coefficient 97

6. Equations of State 98

7. Data Tabulations 101

8. References 105

9. Acknowledgements 105
1

2

3

4

5

6

7

8

9

10

11

12

13

14

15

16

17

18

19

List of Tables

Caption

Journals which have been clean-swept.

Vapor pressure correlation equations used.

Liquid density correlation equations used.

Correlation test results for second virial coefficient data.

Compound identification numbers.

Relation between carbon number and the assigned compound

identification number.

Compound constant values.

Comparison of selected normal boiling points with those of other

compilations

Range 1 vapor pressure correlations.

Range 2 vapor pressure correlations.

Range 3 vapor pressure correlations.

Range 4 vapor pressure correlations.

Definition of quality rating symbols for the property correlations.

Range 1 liquid density correlations.

Range 2 liquid density correlations.

Range 3 liquid density correlations.

Range 4 liquid density correlations.

Parameters used in the Tsonopoulos equation.

Literature references for individual property correlations.

Citations for literature documents.
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Definition of Recommended Values of Certain

Thermodynamic Properties for the Ketones

Buford D. Smith

01 Muthu

Thermodynamics Research Laboratory, Box 1144,

Washington University, St. Louis, Missouri 63130

Experimental data for the vapor pressure, liquid density, second virial

coefficient^ and certain compound constants for the ketones were retrieved in

a comprehensive sweep of the literature. The vapor pressure and liquid

density data were subjected to an intensive selection-deletion process to

identify the best available experimental data points for each compound. Those

data were carefully correlated with reliable equations in order to put the

selected data into a form convenient for use in computer data banks. The

second virial coefficient data were not subjected to such an intensive

evaluation process; that predictive correlation equation which provided the

best overall representation of the literature data sets for each compound was

chosen for use in the data bank. Values of the compound constants were

selected subject to the requirement that those constants related to the vapor

pressure and liquid density be consistent with the selected correlations for

those properties. Whenever possible, the parameters for the best available

equations of state are provided. The correlation equations can be used to

provide tabulations of vapor pressure, saturated liquid density, second virial

coefficients, heat of vaporization^ and saturated vapor volume to the extent

permitted by the available good experimental data.
Key words: Critical properties; data evaluation; equation of state; ketones

liquid density; literature retrieval; melting point; normal boiling point;

property correlation; second virial coefficient; selected data; vapor

pressure

.
1. Scope of Project

1.1. Relevant Compounds

The compounds relevant to this report have the following three characteristics: (a) they contain only elements from the following list,

carbon

hydrogen

oxygen

nitrogen

sulfur

halogens (F, CZ, Br, I)

"rare" gases (He, Ne, Ar, Kr, Xe, Rn)

silicon,

(b) they contain one or more carbonyl (C=0) groups, and (c) they contain only

those other characteristic groups which fall below the carbonyl group in the

lUPAC priority list for citation as the principal group. Those classes of

compounds whose characteristic groups fall below the ketones are the alcohols,

phenols, thiols, hydroperoxides, amines, imines, ethers, sulfides and

peroxides. Those characteristic groups excluded by the lUPAC priority list

are the carboxylic acid, sulfonic acid, ester, acid halide, amide, amidine,

nitrile and aldehyde groups.

If a compound which satisfies the above criteria does not appear in

this report, its absence is due to the fact that no useable data were found

for that compound in the literature.

1
1.2. Properties Covered

An attempt has been made to report values of the following properties for

all those relevant compounds for which useable data appear in the literature:

1. Compound constants (melting point, normal boiling point, critical

properties and acentric factor).

2. Vapor pressure.

3. Saturated liquid density.

4. Second virial coefficient.

In addition, equation of state constants are tabulated whenever they are

available

Two calculated properties follow easily from the above experimental

properties—the saturated vapor molar volume and the heat of vaporization

and those properties are included in the data tables whenever possible. When

the vapor pressure is known and an adequate equation of state is available,

the saturated vapor molar volume can be calculated. The heat of vaporization

can be calculated from the Clapeyron equation when vapor pressure, saturated

vapor molar volume and the saturated liquid molar volume are all available.

Because of their usefulness in various correlations, particularly those

for the second virial coefficient, values of the dipole moment and the radius

of gyration also have been included when readily available. No attempt was

made to retrieve and evaluate literature values for the dipole moment, nor to

calculate values for the radius of gyration. The dipole moment values listed

were taken from McClelland [5266]^ and the radius of gyration values from

Thompson [1706].

^Figures in brackets indicate literature references listed in the References

section at the end of this report.

2
1.3. Literature Covered

The ketone project was part of a long-range program dealing with all

organic and some inorganic compounds. Over 25,000 relevant literature documents have been retrieved as part of the overall program, and it is believed

that number is within 1000 to 2000 of the total number of relevant documents

in existence. Retrieval of old documents is continuing along with the

retrieval of newly-published relevant documents.

Literature searches for specific compounds are not feasible when

retrieving on such a large scale. As an alternative, four techniques have

been used in an attempt to sweep all the relevant documents from the published

literature:

1. Selected journals (see table 1) have been "clean-swept"; i.e., a

trained searcher leafed through the journal from the first to the

last volume looking for relevant docximents. The titles and abstracts

were not assumed to be sufficient evidence of relevancy or nonrelevancy.

2. About 100 compilations, bibliographies, review articles, etc.,

dealing with the compounds and properties of interest were searched

for literature citations of interest.

3. The relevant sections in all the Chemical Abstract volumes for Volume

1 (1907) through Volume 64 (1965) were swept. After 1965, the yearly

volumes of the Bulletin of Chemical Thermodynamics were substituted

for Chemical Abstracts.

4. The literature citations in each document from which data are

transcribed were checked for relevancy and the documents retrieved

if not already in hand.

3
Table 1. Journals which have been clean-swept

Acta Chemica Scandinavica

AIChE Journal

Australian Journal of Chemistry

Berichte der Bunsengesellschaft fuer Physilcalische Chemie

Canadian Journal of Chemistry

Chemical Engineering Progress

Chemical Engineering Progress, Symposium Series

Chemical Engineering Science

Chemical Reviews

Chemical Society Reviews

Collection Czechoslovak Chemical Communications

Discussions of the Faraday Society

Fluid Phase Equilibria

Industrial and Engineering Chemistry

Industrial and Engineering Chemistry, Fundamentals

Industrial and Engineering Chemistry, Process Design and Development

Journal of American Chemical Society

Journal of Applied Chemistry (USSR)

Journal of Chemical and Engineering Data

Journal of Chemical Physics

Journal Chemical Society, Faraday Transactions I. Journal Chemical Society, Faraday Transactions II.

Journal of Chemical Society (London)

Journal of Chemical Thermodynamics

Journal de Chimie Physique

Journal fuer Praktische Chemie

Journal Physical and Chemical Reference Data

Journal of Physical Chemistry

Thermochimica Acta

Pure and Applied Chemistry

Russian Journal of Physical Chemistry

Transactions of the American Institute of Chemical Engineers

Transactions of Faraday Society

Zeitschrift fuer Physikalische Chemie (Frankfurt)

Zeitschrift fuer Physikalische Chemie (Leipzig)

4
Newly-published relevant documents are identified by scanning the weekly

issues of Current Contents/Physical Sciences, and by periodic updates of the

first three items listed above.

One major omission in the coverage of the literature should be noted.

No attempt was made to cover all the organic synthesis literature where melting

point, boiling point, and 20® or 25 ®C density data are often reported as a

means of identification of a newly synthesized compound. There are two reasons

for that omission. First, that body of literature is very large, and its

coverage would have increased the retrieval load by at least another 10,000

documents. Second, the compound constant values reported are usually suspect

because of uncertain purities, poor measurement techniques, etc. Hence, a

very large expenditure of effort almost invariably yields very little in the

way of useful results. Consequently, the decision was made to concentrate on

those documents where the measurement of thermodynamic data was a primary

objective of the authors.

It is believed that the above approach to retrieval makes available over

95% of all relevant documents and over 98% of the useable data. The overall

retrieval percentage for the good data probably approaches 100% but it is

always possible to miss an important document for a specific compound when

dealing with hundreds of compounds and thousands of documents. The authors

will appreciate being informed of any such omissions.

Of the 25,000+ documents which were retrieved, 2956 contained some sort *

of information on ketones. Of those 2956, only 784 reported data on properties

relevant to this project.

5
2. Project Output

The objective of the long-range program, of which this ketone project

has been a part, is the development of thermodynamic data banks which can be

stored in the user's computer system. A strong effort is made to identify,

retrieve and screen all the useable literature data for the properties covered.

The selected literature data are then stored in the data bank, with the

temperature-dependent properties being stored in the form of correlation

constants. The data banks, plus their associated software, make all the useful literature data available to the user through his computer terminal in an

immediately useful form. Or, the user may have his computer programs access

the data banks directly for the needed thermodynamic data.

The emphasis upon computer accessibility has had a major impact upon the

reporting format for this project. The selected values for the temperature

dependent properties —vapor pressure, liquid density and second virial

equation—are reported in the form of constants for correlation equations.

For the user who needs the selected data values in readable form, tables can

be generated over the temperature ranges corresponding to the experimental

data limits on the correlating equations. Those tables also include two

calculated properties—the saturated vapor molar volume and the heat of

vaporization—whenever the data necessary for their calculation are available.

\

6
When numerical data values are processed en masse through a computer, it

becomes difficult to reflect the reliability of a recommended value by the

number of decimal digits carried, and the attempt to do so was finally

abandoned. The number of digits printed was set to accommodate the best data —three decimal digits for temperature, six decimal digits for density, etc.

and all property values printed with the same number of digits regardless of

reliability. Hence, the reader must become accustomed to the sight of a normal boiling point printed with three decimal places when the uncertainty may

be as high as 1 or 2 K in extreme cases. Or, the sight of density values

printed with six decimal places when only three would be sufficient to carry

all the information provided by the experimental measurements. The printing

of the extra digits does have some justification beyond that of expediency

when the units must be changed. Two unit conversion steps with truncation

back to the number of justified digits after each conversion can sometimes

create a result which, if it is then converted back to the original units, is

quite different from the original literature value. That situation sometimes

arises when authors have reported their results twice in different journals

using different units. Then when the two sets of values are both converted

to SI units and compared, the differences are uncomfortably large. The only

way to minimize the effect of such numerical static is to minimize the effect

of truncation by carrying extra digits.

7
The fact that the ketone project was a part of the larger data evaluation

project influenced the reporting format in an additional way. As the

literature documents are retrieved, their citations are added to the Laboratory's

Master Reference List (MRL). The MRL number serves as a document's identification number in the data processing, and that method of identification has

been retained in this report. The reader will note that the number sequence

in the ketone bibliography in the References section is not continuous, but

otherwise the MRL numbers which appear in this report are just like ordinary

reference numbers.

3. Units

The conversion of the literature data to the units used for processing

and reporting is accomplished by the CON programs (CONCON for compound constants,

VAPCON for vapor pressure, DENCON for liquid density and BCON for the second

virial coefficient). The conversion units used by the CON programs are given

in the identity strings below. The first unit in each string is the unit used

for processing.

1.0 K = “C + 273.15 » 273.15 + (®F-32)/1.8 » "R/1.8

101.325 kPa = 1.0 atm = 760 mm Hg “ 14.69595 psi

= 29.92126 in. Hg. = 1.033227 kg/cm^ = 1.01325 bar

1.0 g/zm = 1.000028 g/ml(old) = 62.42795 Ib/ft^ = 8.345403 Ib/gal

8
The water density data of Kell [3222] are used to convert specific gravity

3

data to density (g/cm ) values. The table of Douglas [3163] is used to

convert reported temperatures to the IPTS-68 scale as necessary. The gas

3

constant value used is 8.31441 kPa cm /mol K.

It is assumed that the old milliliter is related to the cubic centimeter

by

0.999972 ml = 1.0 cm^

However, it is usually not certain whether the data are reported in terms of

the old milliliter or of the new milliliter which is equivalent to the cubic

centimeter. Hence it is necessary to operate under arbitrary rules which

hopefully maximize the probability of being correct in any given instance.

If the units are not specifically defined in a document, specific gravity

values are assumed to be in g/ml(old) and the 1.000028 factor is applied by

the CON program. If the data are described as "density” data, the values are

3 assumed to be g/cm . However, when checking the transcriber's work, the

evaluator can change the unit code on specific gravity data from g/ml(old) to

3 . g/cm if he thinks it probable that the authors used the new milliliter.

Unfortunately, it is usually impossible to determine whether or not the

1.000028 correction factor should be applied.

9
The temperature scale used is also a matter of conjecture in most cases.

Very few documents identify the temperature scale used. In such cases, the

IPTS-68 scale is assumed for papers published in 1972 and later; the threeyear lag is based on the assumptions that the data appeared in print one or

two years after its measurement, and that the laboratory reporting the data

probably would not have converted to the new scale until a year or two after

the 1968 scale was announced. For papers published in 1971 and earlier years,

all the data are assumed to be on the 1948 temperature scale; i.e., the only

two temperature scales recognized by the CON programs are the 1948 and 1968

scales. Again, the evaluator can change the temperature scale code entered

by the transcriber if he thinks the blanket rule might not apply.

4. Evaluation Procedures

4.1. Compound Constants

Of the compound constants subjected to a selection process, only the triple

point and melting point are independent of the temperature-dependent correlations developed for the vapor pressure and the liquid density. Whenever a

temperature-dependent correlation can be established for the vapor pressure,

the recommended normal boiling point, critical temperature, critical pressure

and acentric factor values reported come from that correlation. Similarly, the

critical volume value comes from the liquid density correlation, as would the

20 and 25 °C densities if needed by the user. The critical compressibility

factor is calculated from the T^ and P^ values from the vapor pressure

correlation and the value from the liquid density correlation using an R

3 value of 8.31441 kPa cm /mol K.

10
Before the vapor pressure and liquid density data are processed, tentative

values of the compound constants (except for the dipole moment and the radius

of gyration) are selected from the available literature values using program

CONCON. Data from the major relevant compilations (1051, 1146, 3270, 3375, 41765]

are transcribed directly onto the CONCON input forms. The 20 and 25 °C density

values and the critical density values from all the 2956 ketone documents are

transcribed first as density data input (program DENCON) and then copied onto

the CONCON input forms. Similarly, the normal boiling point and critical

temperature and pressure values are first transcribed as vapor pressure data

(program VAPCON) and then copied for CONCON. Of all the compound constants,

only the triple and melting points are transcribed in a separate pass through

the 2956 documents. Actually, the person looking for triple and melting point

values also transcribes critical property values; this dual coverage for the

critical properties is made to decrease the probability of missing any

critical point data.

Once the CONCON input file is complete, the program is used to convert

all the input values to the processing units and list the literature values

for each property (20® liquid density, 25® liquid density, triple point,

melting point, normal boiling point, critical temperature, critical pressure,

critical density and critical volume) in the order of ascending MRL numbers.

All the temperatures are corrected to the IPTS-68 temperature scale except

for those related to the 20® and 25 ®C density values; those are allowed to

remain as 293.15 and 298.15 K.

11
In the column of numbers for each property for each compound, the evaluator

marks a tentative selected value. In the selection of those tentative values,

the evaluator relies heavily upon the values reported by the major compilations of selected values, namely those of Ambrose [41765], the Thermodynamics

Research Center at Texas A&M [3270], Kudchadker et al. [1051], and Kobe et al.

[3375]

A value other than the one reported by the most recent of the above

four compilations will be selected only if justified by the publication of

high-quality values since the publication date of the compilation.

There is seldom any reason to change the initially selected values for

the triple point and melting point, and the values marked on the CONCON printout are usually the final values.

The tentative values selected for the 20® and 25 ®C liquid densities and

the normal boiling point are used as guide-lines in fixing the temperature

correlations for the density and vapor pressure but, once those correlations

are established, the selected values almost invariably have to be changed to

conform to the correlations.
Whether or not the initially selected critical point values are changed

depends upon the relative strengths of those initially selected critical

point values and the high-temperature vapor pressure or liquid density data

with which the selected critical values have to be matched. When the initially

selected critical point values are believed to be firmer than the hightemperature data, the correlation is forced to pass through that selected

critical point and any high-temperature data points which disagree too badly

are discarded. If there is a set of high-temperature vapor pressure or liquid

density data which is of high-quality, but which has no associated critical

point values and does not line up with the initially selected critical values,

it is sometimes necessary to adjust the critical values to conform with the

other data. If the initially selected critical values are of reasonably good

quality, the adjustment necessary to achieve conformity is usually within the

experimental error associated with the reported values. In any case, the

compound constant values reported for the vapor pressure and liquid density

are always those calculated from the temperature correlations for those two

properties

13
The requirement that the density and vapor pressure compound constants

conform to the temperature correlations may or may not make the final values

better than those in earlier compilations. If high-quality data sets are

available in regions of the compound constants, the correlation values will

be firm and reliable. If the temperature-dependent points being fitted have

little to recommend them other than their existence, the calculated compound

constants can be less accurate than values obtained in other ways. For

example, if one assembled all of the reported normal boiling point (or 20*

and 25 *C density) values for a group of similar compounds and then forced

the selected values for the individual compounds to agree with assumed correlations with respect to carbon number, branching, etc., it is highly probable

that the values thus obtained for a given compound would not fall on the

correlation curve for the available temperature-dependent points in the region.

Which is more accurate depends upon the relative accuracies of the two conflicting correlations. That can only be decided by an analysis of each case,

and even then the final decision may have to be arbitrary. In this report,

the main objective is to provide the best available temperature correlation

equations for use on a computer, and it is necessary to report compound

constants which are compatible with those correlations. However, when it is

essential for the user to have the best possible value of a compound constant,

the firmness of the temperature-correlation should be examined (number and

sources of competing data sets, number of points fitted, root-mean-squaredeviation, etc.) and, if found doubtful, the user should consider values from

other sources, particularly those in the TRL tables [3270],

14
4.2. Vapor Pressure

4.2.1. Unit Conversion Step

All of the vapor pressure data which can be found for the compound class

being processed in the relevant documents (2956 for the ketones) are

transcribed on input forms for program VAPCON (the unit conversion program

for vapor pressure data), sorted by compound, and keyed into a computer disk

file denoted as ORIGP. Program VAPCON is then run with ORIGP as the input

file. The VAPCON output goes to the CONVP (converted) disk file. Besides

correcting the temperatures to the IPTS-68 scale and converting the pressure

units to kilopascals as necessary, VAPCON fits the equation

In P' = A -

B

( 1 )

to two selected data points ("anchor" points selected by the evaluator for

each compound) and stores the residual (deviation from the equation) for each

literature data point in the CONVP file. Those residuals are scanned to identify points with extraordinarily large residuals. If a large residual is due

to a transcription or keying error, the ORIGP file is corrected; if not, the

wild point is deleted from the ORIGP file. After the ORIGP file has been

cleared of all erroneous and obviously inconsistent data points, program

VAPCON is run again to provide a "clean" CONVP file for use as input to the

plotting program GENPLT.

15
4.2.2. Plotting Step

Program GENPLT plots the literature data points for each compound in the

form of the VAPCON residuals versus temperature. The ordinate scale for each

compound plot is automatically determined by the minimum and maximum residual

values for the compound—the objective is to spread the data points as much

as possible on the eight-inch high plots. A different plotting symbol is

used for each literature document providing data, and those symbols are

related to the documents' MRL numbers in a tabulation at the end of each

compound plot. Up to 128 different symbols are available, but in practice an

effort is always made to screen the data for commonly-used compounds (such

as acetone) in order to reduce the number of literature sources listed in the

ORIGP file to a number less than 100 before running VAPCON.

The evaluator's objective at this point is to establish the "track"

where he believes the vapor pres sure- temperature curve for each compound should

lie on the residual plots. The tentative selected normal boiling and critical

point values are important guides. In addition, each document providing data

for a compound is inspected to determine the probable quality of each set of

data.

For heavily-measured compounds, the tracks of the final correlations on

the residual plots will be covered by more of less solid bands of data points,

particularly near the normal boiling points. In order to expand those bands

and obtain a better resolution of the data points near the desired tracks, the

evaluator deletes from the input CONVP file all the outlying points which obviously are not going to be included in the final correlations and then runs

GENPLT again.

16
For those compounds with sparse data, the first GENPLT plot is all that

is needed. For a compound with a fairly large number of data points, the

removal of the outlying points may permit the second GENPLT plot to expand

sufficiently to distinguish between all the data sets. For heavily-measured

compounds like acetone, three or four successive plots may be necessary. In

addition to removal of the outlying points, the evaluator may find it necessary

to restrict the temperature range for the next plot to that for the most

heavily populated region. This may be necessary because eq (1) is a straight

line cutting across the bow of the data points on a In P versus 1/T plot, and

it usually provides residuals which plot in a downwardly concave curve with

negative values at both ends and positive values in the middle. By restricting the maximum and minimum temperature and residual limits in the compound's

data set in the CONVP file, only the points in the heavily populated region

can be plotted and made to expand to fill the entire eight-inch plot.

17
The GENPLT plots are, of course, just a mechanical aid for the basic

evaluation process —the considered deletion of some points while retaining

others. Often, the decision to delete or retain a point is made easy by

that point's position relative to the bulk of the equally reliable points on

a properly expanded residual versus temperature plot. After the easy decisions

have been made, the final definition of the correlation track must be based

on the evaluator's appraisal of the relative qualities of the remaining

competing data points. The source of the data can be a deciding factor; one

expects data from sources such as the U. S. National Bureau of Standards, the

National Physical Laboratory of England, etc. to be good. One cannot place

much reliance on the stated experimental errors in most papers but, nevertheless, the evaluator can usually draw some fairly firm conclusions about the

quality of the data from the manner in which the data are presented. Also,

when dealing with a large number of compounds, the evaluator soon identifies

those workers whose data usually fall in or close to the tracks defined for

the compounds. He also soon recognizes those workers whose data usually

fall away from the final track when highly reliable data sets are available

for a compound.

In any case, based on the residual plots and his judgment as to the

relative merits of the various data sets, the evaluator establishes the

tracks on the residual plots of what he believes the best available property

temperature correlations to be. Data points which deviate from those tracks

are deleted. It is not uncommon for part of an extensive literature data set

to be retained while the rest is deleted; the errors involved in a measurement can change with temperature and it is not unusual for the data points

for an extensive data set to begin to bend away from those of other reliable

data sets.

18
In some cases, the track will run between two data points or two sets of

data points, neither one of which falls on the selected track. Rather than

delete both and leave the correlation unsupported in that region, the evaluator

may retain both if he believes the least squares fit will be closer to the

truth with those points in the data base. In other words, the objective in

the deletion process is not to achieve the lowest possible root-mean-squareddeviation value; the objective is to establish a string of data points which

will give a correlation equation which represents the true propertytemperature relation as well as can be inferred from the available experimental evidence.

While working with the residual plots, the tendency is to retain doubtful

points in the temperature gaps between reliable sets of data. It is not

possible to tell from the plots whether or not those points will provide

useful support for the correlation equation or—because they fall a little

off the track—may actually accentuate any tendency an equation might have to

weave in a region where the data points are sparse.

4.2.3. Correlation Step

When the evaluator has gone as far as allowed by the residual plots in

the definition of the final temperature correlations, the CONVP disk file

(now reduced in size) is used as input to program CARDSORT which produces the

SORTP file as output. CARDSORT merges the literature data sets for each

compound and puts the data points in each of the resulting sets in the order

of ascending temperature. The SORTP file then serves as the input for the

vapor pressure fitting program PFIT.

19
The vapor pressure correlation equations contained in PFIT are shown in

Table 2. The Riedel [838], Frost-Kalkwarf [2372], Riedel-Plank-Miller-2

[4529], and Wagner [40337] equations each contain only four constants while

the Vapres-2 equation has five. Only the Wagner equation is a reduced

equation.

Even a five-constant equation has a tendency to weave (irregular first

and second temperature derivatives) when fitted to less than perfect data

over a wide temperature range. Also, users of correlations often object to

equations with a large number of constants. Hence, the vapor pressure

equations used have been restricted to the relatively simple forms shown in

Table 2.

On the other hand, even a five-constant equation will often not fit good

smooth data within experimental error all the way from the melting point to

the critical point. These conflicting considerations forced the use of the

following four temperature ranges for the computer storage of vapor pressure

data.

Range Temperature range, K

1 T to T

m c

2 T to (T,

m

3 T to T.

m d

(T, - 20) to T

b c The T^, T^ and T^ are the melting, normal boiling and critical temperatures

and Tj is defined by T, = 0.85 T . When T is not available, a T, value is

d d c c

’ d

calculated from T^ = 1.45

20
Table 2. Vapor pressure correlation equations used

Riedel In P' =* A + B In T + ~ + DT^

e e T

Frost-Kalkwarf

r np

Ine

P' » A + B In

eT + ^T

^

^2

Riedel-Plank-Miller-2 InP' =A+^+CT+ DT^

e T

Vapres-2 InP' =A+^+CT+ DT^ + E In T

e T e

Wagner

1-T (1-T^)^-^ (1-T (1-T

lnj;-A l" i" r r • r r

21
The order of priority for the use of the fits insofar as the accuracy of

the fits is concerned is 2, 4, 3 and 1. The Range 1 fit is included for the

user who is not particularly concerned about the best possible accuracy and

does not want to worry about changing correlations in order to cover a wide

temperature range.

In general, the equation form used to correlate the data for a given

compound in a given temperature range is the one which best represents the

selected data points. In the first PFIT run, the evaluator requests fits

from all those equations which he believes might work well for each compoundrange combination. From those results, the evaluator first selects the

equation which works best for each compound-range combination, and then proceeds with any further data point deletions needed to achieve the final

correlations

22
The PFIT printout has several characteristics which aid in the selection

of additional points to be deleted and in judging the performance of the

equation used. First, the percent deviation of each point from the equation

value is given. Second, the deviation of each point is displayed in terms of

a positive or negative multiple of the root-mean-squared-deviation for the

entire fit. Third, the normal boiling and critical point values calculated

from the equation are compared to the tentative selected values. Fourth, the

root-mean-squared-deviation for the fit is given and the maximum deviation

point is identified. Fifth, the number of positive deviations and the number

of negative deviations from the equation are given. Both of the first two

items are necessary because of the very large change in the magnitude of the

vapor pressure. At low temperatures, all the RMSD multiples are close to

zero and the percent deviation values must be used. At high temperatures, the

RMSD multiple display is more useful. That display, plus the numbers in the

fifth item make it possible to tell at a glance whether the equation is

splitting the data points or crossing back and forth across them.

After the first round of point deletions based on the first fits, PFIT is

run the second time with a greatly reduced number of equation selections.

Multiple equation selections may still be used for some compound-range combinations if the initial fits were competitive and it is felt that the new

point deletions might affect the final choice. Based on the second PFIT run,

the evaluator makes his final equation selections and may still decide to trim

away a data point here and there. He may also decide to insert again some

points deleted in the previous round. Usually all the correlations are fixed

after the second PFIT run. PFIT is then run the third time to provide the

final set of correlation constants and store them in a form which will

facilitate the storage in the data bank.

23
In each of its runs, the "weave" check option in PFIT is used. That

option requests the calculation and tabulation (as a function of temperature)

of the first and second derivatives of P' and In P' from each equation fit

based on fewer than 30 data points. The derivative tabulations permit the

evaluator to identify those fits which weave or take on odd slope values when

the experimental data points are sparse and scattered. The five-constant

Vapres-2 equation exhibits such behavior much more often than the fourconstant equations.

On the final PFIT run, the boiling point and storage options in PFIT are

also used. The storage option creates a disk file of the correlation constants.

The boiling point option causes the calculation of the normal boiling point

from each correlation equation. The evaluator then selects the value from

either the range 2 or range 4 fits as the final selected value to replace the

tentative value marked on the CONCON printout. The choice between the two

ranges is based on (a) how closely each correlation fits the data points in

the region of the boiling points, (b) which value agrees best with the tentative selected value, and (c) the relative firmness of the tentative selected

value and the experimental data points being fitted. For well-studied

compounds, the difference between the tentative and final selected values will

usually be less than a few hundredths of a degree. For compounds where the

normal boiling point is still a matter of conjecture, the difference can be

as high as two or three degrees.

As explained in section 4.1, any necessary adjustments of the tentative

and P^ values will have been made before the final PFIT run, and there is

no need to calculate new values consistent with the correlation equations. In

short, the correlations are made to conform with the selected critical point

values rather than vice versa.

24
When and values are available, the reduced Wagner equation is

almost invariably used for those two ranges (1 and 4) which include the

critical point; that is done to force an exact fit of the selected critical

point values. Because it must go through the critical point, the Wagner

equation is not as free to fit the other data points and, in relatively rare

instances, the Riedel equation is used for ranges 1 and 4 if it reproduces

the critical point closely enough and at the same time gives a better fit of

the rest of the data than does the Wagner equation. The Riedel-Plank-Miller-2

equation is usually chosen for Ranges 2 and 3 when the data points are

relatively sparse and scattered; that equation very seldom exhibits unreasonable temperature derivatives. If there are a lot of points in Ranges 2 and 3,

the Riedel and Vapres-2 equations may be competitive.

The Vapres-2 equation is often useful when two good but separated data

sets are available. For example, there may be a data set at very low temperature (close to the melting point), another set in the normal boiling point

region, and a large gap between them with only miscellaneous scattered data

points. It is usually difficult to tie two such data sets together without

large deviations at both ends of the gap. Because of its fifth constant, the

Vapres-2 equation is often more flexible in such situations.

The Frost-Kalkwarf equation is seldom used. In early work on a large

number of hydrocarbons, it seldom showed any advantage over the other

equations and its use gradually declined because of the inconvenience due to

the presence of P' on both sides of the equation.

25
4.3. Liquid Density

4.3.1. Unit Conversion Step

The liquid density data processing procedures are similar to those

described in section 4,2 for the vapor pressure data. All the literature

data which can be found are keyed into the ORIGD disk file. Program DENCON

corrects the temperatures to the IPTS-68 scale and the density or volume

-3

units to g cm as necessary, and stores the converted literature data in the

CONVD file. DENCON also calculates and stores a residual value for each data

point based on a quadratic fit of three "anchor" density points selected from

the input literature data by the evaluator. Those three points include one

near the bottom of the temperature range, one near the top, and one at about

three-fourths of the distance from the bottom to the top anchor point; those

three points are chosen to allow the simple quadratic equation to approximate

the density versus temperature curve near the critical region without

generating inordinately large residuals. The special problems encountered

in the unit conversions for density data have been discussed in section 3.

Erroneous and obviously inconsistent data points are identified and

cleared from the ORIDG file as. described in section 4.2.1 for the vapor pressure data. Then DENCON is run the second time to create a clean CONVD file

for the plotting step.

26
4.3.2. Plotting Step

Program GENPLT is used to plot the density data in exactly the same way

as described for vapor pressure. On one hand, the density data are easier

to plot because the data values cover such a small numerical range. On the

other hand, the quadratic is not as good for fitting density data as is the

equation used for vapor pressure and hence the residuals sometimes are more

erratic, particularly when the data extend to the critical point. Nevertheless, it is usually necessary to plot the density data fewer times than the

vapor pressure data.

The 20“ and 25 “C density points serve as guidelines in exactly the same

way as the normal boiling point is used for vapor pressure to establish the

correlation "track" on the residual plots, and the reasons for adjusting or

not adjusting the tentative selected critical point values are the same as

described in section 4.2.2. Also, the same approach is used in making the

point deletion decisions.

4.3.3. Correlation Step

Once the evaluator has finished making deletions in the CONVD file based

on the residual plots, program CARDSORT is used to merge the literature data

sets for each compound and order those points with respect to temperature.

The newly-ordered data are stored in the SORTD disk file.

27
The three density correlation equations used to fit the density data are

shown in Table 3. Those three equations are contained in separate programs

instead of being combined in one program as done for the vapor pressure.

The low-*temperature range Francis equation [4094] is in program FRANCISI, and

the high range Francis equation is in program FRANCIS2. The Rackett equation

[4121, 4123] is applied by program RACKETT.

The temperature ranges used for the liquid density fits differ from

those for the vapor pressure because of the difference in the shapes of the

two property curves and the differences in the correlation equations. The

low-range Francis equation can be fitted to the following ranges using

program FRANCISI.

Range Temperature Range, K

T

m

to (Tc - 10)

T

m

to + 20)

T to (T - 30) m c

( 20) to (T<

Francis [4094] recommended that his low-range equation be restricted to

temperatures below (T^ - 30) and the range 3 fit observes that limit. However,

it is sometimes possible to fit up to (T^ - 10) without serious loss of

accuracy and the extended range is sometimes needed to overlap the fit

obtained with his high range equation.

28
Table 3. Liquid density correlation equations used

Francis, < (T^-10)

Francis, > (T -50)

c

Racket

t

d - A - BT -

d = [A(T + d

c c

j

8.31441

FW ’ d

° (FW)P

^ ^

c

29
The high-range Francis equation (program FRANCIS2) is restricted to the

(T - 50) to T range. Francis [4094] stated that the equation performed

c c fairly well down to 50 to 100 degrees below the critical point. However, the

region near the critical is difficult to fit without large percentage errors.

That difficulty is caused by a combination of factors. First, the density

curve near the critical is very steep and a small temperature error can cause

a large deviation for a data point. Second, a short distance from the

critical point the slope begins a rapid change to a small value. Third, the

high-range Francis equation must pass through the critical point and quite

often the selected d^ value will not be entirely consistent with the data

points near the critical temperature. Hence, it is better to limit the highrange equation to a 50 K increment and stretch the low-range equation fits

upward for the FRANCIS 1 fits for ranges 1 and 4.

The Rackett equation is never competitive with the low-range Francis

equation over the ranges 1, 2 and 3 used in program FRANCISl. Hence, its use

is restricted to the same (T - 50) to T range used by program FRANCIS2, but

0 c it is also seldom competitive with the high-range Francis equation.

30
The low-range Francis equation is a very reliable correlation equation

and will always fit well within experimental accuracy any good set of data in

range 2. The range 3 fit may sometimes fall a little out of the experimental

error band because of the wide temperature range covered. The range 4 fit

would be as good as the range 2 fit if the range were cut back to T^ - 20 or

T^ - 30, but the small loss of accuracy sometimes caused by the extended

temperature range is not an unreasonable price to pay. Also, the low-range

Francis equation is remarkably free of slope problems when fitting sparse,

scattered data points. In short, the low-range Francis equation is a very

satisfactory correlation equation as long as one does not get too close to

the critical points.

The low-range Francis equation fits are always used for the ranges 1, 2

and 3 as defined above for program FRANCISl. When the data do not extend all

the way to the critical, the FRANCISl range 4 fit is also used. If the data

do extend to the critical, then a choice must be made between the FRANCISl

range 4 fit and the (T^ - 50) to T^ fit from FRANCIS2 (and possibly RACKET!)

The choice is easy if the FRANCIS2 (or RACKET!) fit is good. Then the

FRANCIS2 or RACKET! fit over the (T^ - 50) to T^ range is chosen for the

range 4 correlation and overlapping fits are available from T to T . Sometimes the percentage errors in the FRANCIS2 fit are so large (for reasons

described above) that the evaluator decides that coverage of the (T^ - 10) to

T^ range is not feasible. He then chooses the FRANCISl range 4 fit for the

final range 4 correlation.

31
The FRANCISl, FEIANCIS2 and RACKET! printouts provide the evaluator with

the same information as the PFIT printout to aid in the selection of points

to be deleted and to aid in judging the quality of the equation fits. However, the "weave" option is not necessary for the density programs because

the Francis equations are not as subject to slope problems as the vapor

pressure equations. Also, the final density correlation equations are not

asked to calculate values of the 20 and 25 ®C densities. Only the option

requesting disk storage of the correlation constants is used on the final

fitting runs.

4.4. Second Virial Coefficient

The second virial coefficient data are not subjected to the extensive

evaluation process applied to vapor pressure and liquid density data. The

objective is just to select that predictive correlation equation which best

represents the better literature data sets for each compound.

Six predictive equations are always tested: Kreglewski [6771], Pitzer

and, curl [6288], O' Connell-Prausnitz [897], Tsonopoulos [11414], NothnagelAbrams-Prausnitz [9819], Hayden-0' Connell [8531]. No attempt is made to

adjust the correlation constants; i.e., no least-squares data fitting is done.

32
The data processing for the second virial coefficient data starts like

that for the vapor pressure and liquid density. All the literature data are

first transcribed from the relevant literature documents onto input forms for

program BOON. (Some data sets beyond those appearing in the Dymond and Smith

[41648] compilation are usually found but they very seldom are of any

significance. The Dymond and Smith book has been found to be an exhaustive

compilation of existing good literature data.) The transcribed data are

keyed into disk file ORIGB which serves as input to program BCON. BCON stores

the converted B values in disk file CONVB.

Second virial data are reported in the literature for each of the

following equations:

PV = A(1 + B/V + C/V^ + . . .) (2a)

PV = A' + B'/V + C'/V^ + ... (2b)

PV = A*(l + B*P + C*P^ + . . .

)

(2c)

2

PV = A" + B"P + C"P + . .(2d)

The relations between the various second coefficients is

B = B'/RT = RTB* = B" (3)

BCON converts all the literature second coefficient values as necessary to

3 -1

B values (eq (2a)) in terms of cm mol . It also converts the data point

temperatures to the IPTS-68 scale as necessary.

33
The BCON input file (ORIGP) naist contain the correlation constants for

each correlation to be tested. Those constants are taken from the literature

documents for the individual correlations. All correlations for which

constants can be found are always tested.

Using the CONVB disk file as input, program GENPLT produces a residual

plot for each equation tested for each compound for which B values could be

found in the literature. Data were found for the following ketones.

ID compound

KE0300 acetone (2-propanone)

KE0400 2-butanone

KE0500 2-pentanone

KE0501 3-pentanone

KE0505 2-me thy1 -

2-bu tanone

KE0601 3-hexanone

The significance of the ID number will be explained later; here it is just

used as a convenient tag for the compounds in Table 4 where the test results

for the various correlations are summarized.

The BCON printout gives the root-mean-squared deviation for each set of

literature data for each correlation tested. Those values are listed in Table 4.

BCON also gives the rmsd value for the combined data sets for each compound

but that number is not very useful because the individual data sets vary in

quality and the selection of the best correlation must be based on those few

data sets which are felt to be of the highest quality.

34
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o o o o o o o o o o o o o O O o o o o o a cn on cn cn cn cn cn cn cn cn cn cn cn Mf Mf cn m cn in vO M o o o o o o o o o o o o o o o o o o o o

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35
The correlation equation which gave the lowest rmsd value for each set of

data is indicated by an asterisk on that lowest value in Table 4. The

Tsonopoulos equation was the best performer, giving the lowest rmsd for 10 of

the 20 literature data sets. The Kreglewski correlation was the second best

performer with the lowest rmsd for 5 sets of data. However, the use of the

Kreglewski correlation is restricted to pure compound calculations because

there are no mixing rules for mixture calculations, hence it is of less

intrinsic interest than the other correlations.

Comparison of the rmsd for all the literature data sets can be misleading

because the best correlation should not give the lowest rmsd for a bad set of

data. Of the 13 literature data sets for acetone (KE0300), Dymond and Smith

[41648] favor the Hajjar et al. [1803], Bottomley et al. [2678] and Knoebel

et al. [5948] sets, with preference given to the first two sets above 360 K.

The Tsonopoulos correlation gives the lowest rmsd for the first two while the

Nothnagel et al. equation fits the third set best, hence the Tsonopoulos

equation was chosen for acetone.

For 2-butanone (KE0400), the Hayden-0' Connell correlation's rmsd was

lower than that of the Tsonopoulos equation for the Nickerson et al. [10901],

and also lower for the combined Nickerson et al. and the Chang et al. [21584]

set. Hence, the Hayden~0' Connell correlation was chosen for 2-butanone.

The Tsonopoulos correlation was chosen for all of the rest of the

compounds in Table 4. The Kreglewski correlation represented the 2-pentanone

data much better but, because of the lack of mixture mixing rules, that

equation is never chosen for storage in the data bank.

36
5. Selected Values

The objective was to select the best values from all the available

literature data for each relevant compound-property combination. For heavilymeasured compounds, the selected values should be quite accurate. For

sparsely-measured compounds, the selected values often have little to recommend

them other than the fact that they appear to be the best of the limited information available.

Table 5 lists those compounds for which enough information was found to

merit inclusion in this report. Table 5 also gives the identification numbers

which are used to identify the compounds in succeeding tables. The first two

characters of the "number" are always alphabetical and represent the compound

class (KE for ketones, OH for alcohols, etc.). The second two characters are

related to the carbon number as shown in Table 6. It was possible to use the

carbon number as the second two characters only through 8. For carbon numbers

9 and 10, more than 100 numbers has been needed for some compound classes.

The ranges for those two carbon numbers were made overly large in order to

get back to a more obvious relationship between carbon number and the identification number starting with carbon number 11.

Chemical nomenclature is a serious problem when retrieving information

from a computer data bank. To alleviate that problem, up to four different

compound names can be stored with each compound record. Table 5 lists all

the names used for each compound.

37
Table 5. Compound identification numbers

KE0300 ACETONE

KE0300 2-PROPANONE

KE0305 HEXADEUTEROACETONE

KE0305 ACET0NE-D(6)

KE0340 1 -HYDR0XY-2-PR0PAN0NE

KE0340 ACETYICARBINOL

KE0360 1 -CHLORO- 2-PROPANONE

KE0360 CHLOROACETONE

KE0361 1 , 1-DICHL0R0-2-PR0PAN0NE

RE0361 1 , 1-DICHLOROACETONE

KE0362 1 .3-DICHLORO-2-PROPANONE

KE0362 1,3-DI CHLOROACETONE

KE0370 1 -CHLORO- 1 , 1 , 3 , 3 , 3-PENTAFLUORO-2-PROPANONE

KE0370 PENTAFLUOROCHLOROACETONE

KE0370 CHLOROPENTAFLUOROACETONE

KE0380 1 , 1, 1 , 3 , 3 , 3 -HEXAFLUORO- 2-PROPANONE

KE0380 PERFLUOROACETONE

KE0380 HEXAFLUOROACETONE

KE0400 2-BUTANONE

KE0400 METHYL ETHYL KETONE

KE0400 ETHYL METHYL KETONE

KE0410 2,3-BUTANEDIONE

KE0410 BIACETYL

KE0410 DIACETYL

KE0420 CYCLOBUTANONE

KE0430 1 , 3-CYCLOBUTANEDIONE

KE0430 CYCLOBUTAN- 1 , 3-DIONE

KE0440 3-BUTEN-2-ONE

KE0440 METHYL VINYL KETONE

KE0440 VINYL METHYL KETONE

KE0445 3-HYDROXY-2-BUTANONE

KE0445 ACETOIN

KE0445 ACETYL METHYL CARBINOL

KE0446 4-HYDROXY-2-BUTANONE

KE0446 3-KETOBUTANOL

KE0450 1-BROMO-2-BUTANONE

KE0450 BROMOMETHYL ETHYL KETONE

KE0451 3-BROMO-2-BUTANONE

KE0451 METHYL 1-BROMOETHYL KETONE

KE0460 3-CHLORO-2-BUTANONE

KE0460 3-CHLOROBUTANONE-2

KE0500 2-PENTANONE

KE0500 METHYL N-PROPYL KETONE

KE0500 METHYL PROPYL KETONE

KE0501 3-PENTANONE

KE0501 DIETHYL KETONE

KE0501 PROPIONE

KE0505 3-METHYL-2-BUTANONE

KE0505 ISOPROPYL METHYL KETONE

38
Table 5. Compound identification numbers—Continued

KE0505 METHYL ISOPROPYL KETONE

KE0510 2,4-PENTANEDIONE

KE0510 ACETYLACETONE

KE0510 DIACETYLMETHANE

KE0520 CYCLOPENTANONE

KE0520 ADIPIC KETONE

KE0520 KETOPENTAMETHYLENE

KE0530 ACETYLCYCLOPROPANE

KE0530 METHYL CYCLOPROPYL KETONE

KE0530 CYCLOPROPYL METHYL KETONE

KE0530 1 -CYCLOPROPYL- 1-ETHANONE

KE0540 3-METHYL-3-BUTEN-2-ONE

KE0540 METHYL ISOPROPENYL KETONE

KE0555 4-BROMO-2-PENTANONE

KE0555 2-BROMOPROPYL METHYL KETONE

KE0563 1-HYDROXY-3-METHYL-2-BUTANONE

KE0563 BETA-METHYL-ALPHA-KETOBUTANOL

KE0565 3-HYDROXY-3-METHYL-2-BUTANONE

KE0566 4-HYDROXY-3-METHYL-2-BUTANONE

KE0568 1-HYDR0XY-4-METH0XY-2-BUTAN0NE

KE0570 5-HYDROXY-3-PENTYN-2-ONE

KE0570 1-HYDR0XY-2-PENTYNE-4-0NE

KE0600 2-HEXANONE

KE0600 METHYL BUTYL KETONE

KE0600 BUTYL METHYL KETONE

KE0601 3-HEXANONE

KE0601 ETHYL PROPYL KETONE

KE0604 4-METHYL-2-PENTANONE

KE0604 ISOBUTYL METHYL KETONE

KE0604 METHYL ISOBUTYL KETONE

KE0604 ISOPROPYL ACETONE

KE0605 2-METHYL-3-PENTANONE

KE0605 ETHYL ISOPROPYL KETONE

KE0607 3,3-DIMETHYL-2-BUTANONE

KE0607 TERT-BUTYL METHYL KETONE

KE0607 PINACOLONE

KE0607 PINACOLIN

KE0610 2,5-HEXANEDIONE

KE0610 ACETONYL ACETONE

KE0615 3-METHYL-2,4-PENTANEDIONE

KE0615 METHYLACETYLACETONE

KE0620 CYCLOHEXANONE

KE0620 KETOHEXAMETHYLENE

KE0620 PIMELIC KETONE

KE0625 3-METHYLCYCLOPENTANONE

KE0640 5-HEXEN-2-ONE

KE0640 ALLYLACETONE

KE0645 4-METHYL-4-PENTEN-2-ONE

KE0645 ISOMESITYL OXIDE

KE0650 4-METHYL-3-PENTEN-2-ONE

KE0650 ISOPROPYLIDENEACETONE

39
Table 5. Compound identification numbers —Continued

KE0650 MESITYL OXIDE

KE0660 2 ,5-CYCLOHEXADIENE-l , 4-DIONE

KE0660 1,4-BENZOQUINONE

KE0660 P-QUINONE

KE0660 P-BENZOQUINONE

KE0670 4-HYDR0XY-4-METHYL-2-PENTAN0NE

KE0670 DIACETONE ALCOHOL

KE0680 6-BR0M0-2-HEXAN0NE

KE0680 6-BROMOHEXANE-2-ONE

KE0700 2-HEPTANONE

KE0700 METHYL AMYL KETONE

KE0700 METHYL PENTYL KETONE

KE0701 3-HEPTANONE

KE0701 ETHYL BUTYL KETONE

KE0701 BUTYL ETHYL KETONE

KE0702 4-HEPTANONE

KE0702 DIPROPYL KETONE

KE0710 2-METHYL-3-HEXAN0NE

KE0710 PROPYL ISOPROPYL KETONE

KE0720 2 , 4-DIMETHYL-3 -PENTANONE

KE0720 DIISOPROPYL KETONE

KE0720 TETRAMETHYLACETONE

KE0720 ISOBUTYRONE

KE0725 3 , 3-DIMETHYL-2 , 4-PENTANEDIONE

KE0725 DIMETHYL ACETYL ACETONE

KE0730 3-ETHYL-2 , 4-PENTANEDIONE

KE0730 ETHYL ACETYL ACETONE

KE0735 2,4,6-HEPTANETRIONE

KE0735 DIACETYL ACETONE

KE0740 CYCLOHEPTANONE

KE0745 2-METHYL- 1 -CYCLOHEXANONE

KE0745 2-METHYLCYCLOHEXANONE

KE0746 3-METHYL- 1-CYCLOHEXANONE

KE0746 3-METHYLCYCLOHEXANONE

KE0747 4-METHYL- 1 -CYCLOHEXANONE

KE0747 4-METHYLCYCLOHEXANONE

KE0760 2-METHYL-2 ,5-CYCLOHEXADIENE-l , 4-DIONE

KE0760 2-METHYL- 1

, 4-BENZOQUINONE

KE0760 METHYL P-BENZOQUINONE

KE0800 2-OCTANONE

KE0800 METHYL HEXYL KETONE

KE0801 3-OCTANONE

KE0801 ETHYL AMYL KETONE

KE0802 4-OCTANONE

KE0802 PROPYL BUTYL KETONE

KE0810 2 -METHYL-3 -HEPTANONE

KE0810 ISOPROPYL BUTYL KETONE

KE0830 2 , 5-DIMETHYL-3-HEXANONE

KE0830 ISOPROPYL ISOBUTYL KETONE

KE0850 2,2, 4-TRIMETHYL-3-PENTANONE

KE0870 ACETYLCYCLOHEXANE

40
Table 5. Compound identification numbers—Continued

KE0870 1 -CYCLOHEXYL- 1 -ETHANONE

KE0870 METHYL CYCLOHEXYL KETONE

KE0890 CYCLOOCTANONE

KE0910 2-PROPYL- 1 -CYCLOPENTANONE

KE0910 ALPHA-PROPYLCYCLOPENTANONE

KE0930 3-ACETYL-5-HEXEN-2-ONE

KE0930 ALLYL ACETYL ACETONE

KE0950 ACETOPHENONE

KE0950 1-PHENYLETHANONE

KE0950 METHYL PHENYL KETONE

KE0950 ACETYLBENZENE

KE0980 4-CHLOROACETOPHENONE

KE0980 P-CHLOROACETOPHENONE

KE0980 P-CHLOROPHENYL METHYL KETONE

KEIOOO 2-NONANONE

KEIOOO METHYL HEPTYL KETONE

KElOOl 3-NONANONE

KElOOl ETHYL N-HEXYL KETONE

KE1002 4-NONANONE

KE1002 PROPYL AMYL KETONE

KE1002 AMYL PROPYL KETONE

KE1003 5-NONANONE

KE1003 DIBUTYL KETONE

KE1003 NONAN-5-ONE

KE1020 2 , 6-DIMETHYL-4-HEPTANONE

KE1020 DI ISOBUTYL KETONE

KE1040 2,2,4, 4-TETRAMETHYL- 3-PENTANONE

KE1040 HEXAMETHYL ACETONE

KE1060 1 - CYCLOHEXYL- 1 -PROPANONE

KEllOO CYCLONONANONE

KE1150 2 , 6-DIMETHYL-2 ,5-HEPTADIEN-4-ONE

KE1150 PHORONE

KE1150 DI ISOPROPYLIDENEACETONE

KE1180 1 -PHENYL- 1 -PROPANONE

KE1180 PROPIOPHENONE

KE1180 ETHYL PHENYL KETONE

KE1180 PHENYL ETHYL KETONE

KE1181 1 -PHENYL-2-PROPANONE

KE1181 BENZYL METHYL KETONE

KE1181 PHENYL ACETONE

KE1181 ACETONYLBENZENE

KE1200 4-METHYLACETOPHENONE

KE1200 P-TOLYL METHYL KETONE

KE1200 P-METHYLACETOPHENONE

KE1250 1-INDANONE

KE1250 ALPHA-HYDRINDONE

KE1320 1- (2 , 2-DIMETHYLCYCLOPROPYL) -2-HYDROXY- 1-PROPANONE

KE1320 KETOL

KE1350 3 ,5-DIBROMO-2 , 6-DIMETHYL-2 ,5-HEPTADIEN-4-ONE

KE1350 ALPHA , ALPHA ’ -DIBROMOPHORONE

KE1360 3 ,5-DICHLORO-2 , 6-DIMETHYL-2 ,5-HEPTADIEN-4-ONE

41
Table 5. Compound identification numbers —Continued

KE1360 ALPHA, ALPHA '-DICHLOROPHORONE

KE1400 2-DECANONE

KE1400 METHYL OCTYL KETONE

KE1401 3-DECANONE

KE1401 ETHYL N-HEPTYL KETONE

KE1403 5-DECANONE

KE1403 BUTYL AMYL KETONE

KE1500 CYCLODECANONE

KE1530 2-ISOPROPYL-5-METHYL-1-CYCLOHEXANONE

KE1530 L-METHONE

KE1530 L-P-MENTHAN-3>ONE

KE1530 1-METHYL-4-ISOPROPYLCYCLOHEXAN-3-ONE

KE1550 2, 2, 5, 5 -TETRAMETHYL-1 -CYCLOHEXANONE

KE1550 l,l,4,4-TETRAMETHYLCYCLOHEXANONE-2

KE1580 DECAHYDRO-2-NAPHTHALENONE

KE1580 TRANS-BETA-DECALONE

KE1600 1 , 3 , 3-TRIMETHYLBICYCL0(2 . 2 . l)HEPTAN-2-ONE

KE1600 FENCHONE

KE1600 l,3,3-TRIMETHYL-2-NORCAMPHANONE

KE1620 CAMPHOR

KE1620 2-CAMPHANONE

KE 1620 1,7, 7-TRIMETHYLBICYCLO (2 . 2 . 1 )HEPTAN-2-ONE

KE1640 (lS)-l-ALPHA-ISOPROPYL-4-METHYLBICYCLO(3.1.0)HEXAN-3-ONE

KE1640 ALPHA-THUJONE

KE1640 3-THUJANONE

KE1640 TANACETONE

KE1660 3-ISOPROPYL-6-METHYL-2-CYCLOHEXEN-1-ONE

KE1660 CARVENONE

KE1660 6-METHYL-3-(l-METHYLETHYL)-2-CYCLOHEXEN-l-ONE

KE1680 5-ISOPROPYL-3-METHYL-2-CYCLOHEXEN-1-ONE

KE1680 1-METHYL-3-ISOPROPYLCYCLOHEXEN-6-ONE-5

KE1700 5-ISOPROPENYL-2-METHYL-2-CYCLOHEXEN-1-ONE

KE1700 CARVONE

KE1700 2-METHYL-5-(l-METHYLETHENYL)-2-CYCLOHEXEN-l-ONE

KE1720 l-OXO-1,2,3, 4-TETRAHYDRONAPHTHALENE

KE1720 ALPHA-TETRALONE

KE1720 3, 4-DIHYDRO- l(2H)-NAPHTHALENONE

KE1750 1 -PHENYL- 1-BUTANONE

KE1750 PHENYL PROPYL KETONE

KE1750 PROPYL PHENYL KETONE

KE1750 BUTYROPHENONE

KE1760 1-PHENYL-2-BUTANONE

KE1760 BENZYL ETHYL KETONE

KE1762 4-PHENYL-2-BUTANONE

KE1762 BENZYL ACETONE

KE1762 METHYL-2-PHENYLETHYL KETONE

KE1800 3,5-DIMETHYLACETOPHENONE

KE1820 3-ETHYLACETOPHENONE

KE1820 M-ETHYLACETOPHENONE

KE1821 4-ETHYLACETOPHENONE

KE1821 P-ETHYLACETOPHENONE

42
Table 5. Compound identification numbers—Continued

KE1860 1 -PHENYL- 1,3-BUTANEDIONE

KE1860 BENZOYLACETONE

KE1900 1 , 3-DIACETYLBENZENE

KE1900 M-DIACETYLBENZENE

KE1901 1,4-DIACETYLBENZENE

KE1901 P-DIACETYLBENZENE

KE2000 5-BR0M0-3-METH0XY-2,6-DIMETHYL-2,5-HEPTADIEN-4-0NE

KE2000 ALPHA-BROMO-ALPHA’-METHOXYPHORONE

KE2100 2-UNDECANONE

KE2100 2-HENDECANONE

KE2100 METHYL N-NONYL KETONE

KE2104 6-UNDECANONE

KE2104 DI-N-AMYL KETONE

KE2104 UNDECAN-6-0NE

KE2104 DIAMYL KETONE

KE2120 CYCLOUNDECANONE

KE2130 3-ACETOXY-2 , 6-DIMETHYL-2 ,5-HEPTADIEN-4-ONE

KE2130 ALPHA-ACETOXYPHORONE

KE2150 1 -PHENYL- 1-PENTANONE

KE2150 N-BUTYL PHENYL KETONE

KE2150 VALEROPHENONE

KE2150 PHENYL BUTYL KETONE

KE2155 1-PHENYL-2-PENTANONE

KE2155 BENZYL N-PROPYL KETONE

KE2170 2,2-DIMETHYL-l-INDANONE

KE2170 BETA,BETA-DIMETHYL-ALPHA-HYDRINDON

KE2190 3-ACETOXY-5-BROMO-2,6-DIMETHYL-2,5-HEPTADIEN-4-ONE

KE2190 ALPHA-BROMO-ALPHA’ -ACETOXYPHORONE

KE2225 CYCLODODECANONE

KE2235 5 ,5-DIETHYL-2 ,2-DIMETHYL-l-CYCLOHEXANONE

KE2235 1 , l-DIMETHYL-4,4-DIETHYLCYCL0HEXAN0NE-2

KE2250 1 -PHENYL- 1-HEXANONE

KE2250 N-AMYL PHENYL KETONE

KE2250 CAPROPHENONE

KE2260 1-ACETYLNAPHTHALENE

KE2260 1-ACETONAPHTHONE

KE2260 METHYL 1 -NAPHTHYL KETONE

KE2261 2-ACETYLNAPHTHALENE

KE2261 2-ACETONAPHTHONE

KE2261 METHYL 2-NAPHTHYL KETONE

KE2300 2-TRIDECANONE

KE2300 UNDECYL METHYL KETONE

KE2300 METHYL UNDECYL KETONE

KE2300 HENDECYL METHYL KETONE

KE2330 4- (2 , 6 , 6-TRIMETHYL-2-CYCLOHEXEN- 1-YL) -3-BUTEN-2-ONE

KE2330 ALPHA- lONONE

KE2331 4- (2 , 6 , 6-TRIMETHYL- 1-CYCLOHEXEN- 1-YL) -3-BUTEN-2-ONE

KE2331 BETA-IONONE

KE2350 1 -PHENYL- 1-HEPTANONE

KE2350 ENANTHOPHENONE

KE2350 HEXYL PHENYL KETONE

43
Table 5. Compound identification numbers —Continued

KE2365 BENZOPHENONE

KE2365 DIPHENYL KETONE

KE2365 BENZOYL BENZENE

KE2365 DIPHENYLMETHANONE

KE2380 1 -NAPHTHYL- 1-PROPANONE

KE2380 1-PROPIONAPHTHONE

KE2380 ETHYL 1 -NAPHTHYL KETONE

KE2430 DIPHENYLETHANEDIONE

KE2430 BENZIL

KE2430 BIBENZOYL

KE2430 DIPHENYL-ALPHA, BETA-DIKETONE

KE2445 l-(l-NAPHTHALENYL)-l-BUTANONE

KE2445 N-PROPYL 1 -NAPHTHYL KETONE

KE2460 9 , lO-ANTHRACENEDIONE

KE2460 9 , lO-ANTHRAQUINONE

KE2460 9 , lO-DIOXOANTHRACENE

KE2460 ANTHRAQUINONE

KE2473 1 , 4-DIHYDROXY-9 , lO-ANTHRACENEDIONE

KE2473 QUINIZARIN

KE247 3 1 , 4-DIHYDROXYANTHRAQUINONE

KE2474 1,5-DIHYDROXY-9,10-ANTHRACENEDIONE

KE2474 1,5-DIHYDROXYANTHRAQUINONE

KE2477 1 , 8-DIHYDROXY-9 , lO-ANTHRACENEDIONE

KE2477 1 , 8-DIHYDROXYANTHRAQUINONE

KE2506 8-PENTADECANONE

KE2506 DI-N-HEPTYL KETONE

KE2506 N-DIHEPTYL KETONE

KE2506 PENTADECANE-8-ONE

KE2540 1 -PHENYL- 1-NONANONE

KE2540 N-OCTYL PHENYL KETONE

KE2545 1 , 3-DIPHENYL-2-PROPANONE

KE2545 DIBENZYL KETONE

KE2565 l-(l-NAPHTHALENYL)-l-PENTANONE

KE2565 N-BUTYL 1 -NAPHTHYL KETONE

KE2630 3-BENZOYLOXY-2 , 6-DIMETHYL-2 ,5-HEPTADIEN-4-ONE

KE2630 ALPHA-BENZOYLOXYPHORONE

KE2645 l-(l-NAPHTHALENYL)-l-HEXANONE

KE2645 N-PENTYL 1 -NAPHTHYL KETONE

KE2680 3- (4-BR0M0BENZYL0XY)-2 , 6-DIMETHYL-2 ,5-HEPTADIEN-4-ONE

KE2680 ALPHA-P-BROMOBENZYLOXYPHORONE

KE2685 5-BR0M0-3(4-BR0M0BENZYL0XY)-2,6-DIMETHYL-2,5-HEPTADIEN-4-0NE

KE2685 ALPHA-BROMO-ALPHA’ -P-BROMOBENZYLOXYPHORONE

KE2688 3-BENZ0YL0XY-5-BR0M0-2,6-DIMETHYL-2,5-HEPTADIEN-4-0NE

KE2688 ALPHA-BROMO-ALPHA’ -BENZOYLOXYPHORONE

KE2707 9-HEPTADECANONE

KE2707 DIOCTYL KETONE

KE2707 N-HEPTADECANONE-9

KE2745 1, 5-DIPHENYL- l,4-PENTADIEN-3-ONE

KE2745 DIBENZALACETONE

KE2745 DISTYRYL KETONE

KE2755 l-(l-NAPHTHALENYL)-l-HEPTANONE

44
Table 5. Compound identification numbers—Continued

KE2755 N-HEXYL 1 -NAPHTHYL KETONE

KE2755 HEPTANONAPHTHONE

KE2775 7H-BENZ(DE)ANTHRACEN-7-ONE

KE2775 BENZANTHRONE

KE2835 1 -PHENYL- 1-DODECANONE

KE2835 N-UNDECYL PHENYL KETONE

KE2835 PHENYL UNDECYL KETONE

KE2845 1 -NAPHTHYL- 1 -OCTANONE

KE2845 N-HEPTYL 1-NAPHTHYL KETONE

KE2845 OCTANONAPHTHONE

KE2845 CAPRYLONAPHTHONE

KE3050 1 -PHENYL- 1-TETRADECANONE

KE3050 N-TRIDECYL PHENYL KETONE

KE3050 PHENYL TRIDECYL KETONE

KE3310 12-TRICOSANONE

KE3310 DIUNDECYL KETONE

KE3310 LAURONE

KE3350 1-PHENYL- 1-HEXADECANONE

KE3350 PENTADECYL PHENYL KETONE

KE3350 PALMITOPHENONE

KE3712 14-HEPTACOSANONE

KE3712 DITRIDECYL KETONE

KE3712 MYRISTONE

KE4114 16-HENTRIACONTANONE

KE4114 DIPENTADECYL KETONE

KE4114 PALMITONE

KE4516 18-PENTATRIACONTANONE

KE4516 DIHEPTADECYL KETONE

KE4516 STEARONE

45
Table 6. Relation between carbon number and

the assigned compound identification number

Carbon

number

Identification

number

Carbon

number

Identification

number

Carbon

number

Identification

number

1 0100-0199 11 2100-2199 21 3100-3199

2 0200-0299 12 2200-2299 22 3200-3299

3 0300-0399 13 2300-2399 23 3300-3399

4 0400-0499 14 2400-2499 24 3400-3499

5 0500-0599 15 2500-2599 25 3500-3599

6 0600-0699 16 2600-2699 26 3600-3699

7 0700-0799 17 2700-2799 27 3700-3799

8 0800-0999 18 2800-2899 28 3800-3899

9 1000-1399 19 2900-2999 29 3900-3999

10 1400-2099 20 3000-3099 30 4000-4099

31 4100-4199

32 4200-4299

33 4300-4399

34 4400-4499

35 4500-4599

46
A compound was included in Table 5 only if there was enough information

to establish a temperature correlation for either vapor pressure or liquid

density. To do that, there had to be at least two useable data points for

at least one of those two properties. For example, liquid density values at

20® and 25 °C which gave a reasonable slope were sufficient to put a compound

on the list even when no other data were available.

5.1. Compound Constants

The selected values of the compound constants are listed in Table 7.

The 20 and 25 ®C liquid density values are not included in the tabulation in

order to make room for the dipole moment and radius of gyration, both of

which are often needed for physical property correlations.

5.1.1. Formula Weight

The atomic weights were taken from "Atomic Weights of the Elements 1975",

Inorganic Chemistry Division Commission on Atomic Weights, International

Union of Pure and Applied Chemistry, published in Pure and Applied Chemistry,

47, 75-95 (1976).

Carbon 12.011

Hydrogen 1.0079

Deuterium 2.016

Bromine 79.904

Chlorine 35.453

Fluorine 18.998403

Iodine 126.9045

Nitrogen 14.0067

Oxygen 15.9994

47
Table 7. Compound conatanC values

ID FW MP, K NBP, K TC, K PC, MPa VC, ml/mol ZC (U y, Debye R, *A

KE0300 58.080 178.476 329.207 508.100 4.700 208.921 0.232 0.3073 2.86 2.7404

KE0305 64.128

KE0340 74.079

KE0360 92.525 391.656 2.38

KE0361 126.970 391.656

KE0362 126.970 316.139 445 . 185

KE0370 182.477 140.141 280.948 410.665 2.878 0.3449 4.0101

KE0380 166.023 147.698 245 . 805 357.245 2.841 329.084 0.313 0.3649 3.8076

KE0400 72.107 186.490 352.747 536.780 4.207 267.063 0.251 0.3220 2.78 3.1395

KE0410 86.090 361.853 1.46

KE0420 70.091 222.179 371.990 2.61 2.7906

KE0430 84.074 265.454 399.650

KE0440 70.091 354.703 3.00

KE0445 88.106 416.551

KE0446 88.106 455 . 150

KE0450 151.003 427.659 2.35

KE0451 151.003 409.159

KE0460 106.552 388.742

KE0500 86.133 196.320 375.408 561.080 3.694 301.164 0.238 0.3470 2.72

KE0501 86.133 234.203 375.109 561.460 3.729 336.457 0.268 0.3410 2.72 3.4817

KE0505 86.133 181.178 367.482 553.400 3.850 309.831 0.259 0.3301 2.77 3.4148

KE0510 100.117 249.964 411.855 2.81

KE0520 84.118 221.879 403.706 3.1662

KE0530 84.118 204.883 384.870 2.87

KE0540 84.118 219.580 370.904 2.77

KE0555 165.030

KE0563 102.133 462.775

KE0565 102.133 416.404

KE0566 102.133 458.142

KE0568 118.132

KE0570 98.101

KE0600 100.160 217.381 400.733 587.000 3.323 0.3942 2.68

KE0601 100.160 217.531 396.656 582.820 3.320 0.3794

KE0604 100.160 189.181 388.856 571.000 3.270 0.3663

KE0605 100.160 388.032

KE0607 100.160 221.179 379.263 567.000 3.470 0.3229 2.81

KE0610 114.144 264.155

KE0615 114.144

KE0620 98.144 241.969 428.763 629.000 3.850 0.4524 3.08

KE0625 98.144 214.782

KE0640 98.144 402.144

KE0645 98.144 394.648

KE0650 98.144 402.959 3.24

KE0660 108.096 388.655 .68

KE0670 116.160 226.177 441.076 3.24

KE0680 179.056 490.027

KE0700 114.187 238.171 424.206 611.500 3.436 0.4857 2.61

48
Table 7. Compound constant values—Continued

KE0701 114.187 234.173 420.569

KE0702 114.187 240.669 417.259

KE0710 114.187 406.531

KE0720 114.187 204.183 396.818

KE0725 128.171

KE0730 128.171

KE0735 142.154

KE0740 112.171 453.558

KE0745 112.171 259.258

KE0746 112.171 199.683

KE0747 112.171 232.574

KE0760 122.123 340.141

KE0800 128.214 252.862 446.425

KE0801 128.214 440.863

KE0802 128.214

KE0810 128.214 428.531

KE0830 128.214 418.732

KE0850 128.214 244.147 408.131

KE0870 126.198

KE0890 126.198 317.350 474.612

KE0910 126.198 204.933 456.335

KE0930 140.182

KE0950 120.151 292.742 475.020

KE0980 154.596 291.543 510.208

KEIOOO 142.241 265.654 468.465

KElOOl 142.241

KE1002 142.241

KE1003 142.241 267.253 461.590 640.000

KE1020 142.241 227.137 441.414

KE1040 142.241 247.925 426.700

KE1060 140.225

KEllOO 140.225 305.050 493.570

KE1150 138.209 301.141 470.391

KE1180 134.177 291.753 490.914

KE1181 134.177 257.759

KE1200 134.177 497.474

KE1250 132.162

KE1320 156.224

KE1350 296.001 305 . 140

KE1360 207.099

KE1400 156.267 276.248 483.296

KE1401 156.267

KE1403 156.267

KE1500 154.252 295.950

KE1530 154.252 266.603

KE1550 154.252

KE1580 152.236

KE1600 152.236 278.147 466.413

KE1620 152.236 452.683 480.706

KE1640 152.236 474.193

KE1660 152.236

2.81

2.50

2.73

3.10

2.72

2.96

2.96

2.34

2.320 0.5138 2.69

2.66

2.64

2.85

2.38

2.88

2.72

3.23

3.41

2.75

2.83

2.93

2.98

49
Table 7. Compound constant values —Continued

KE1680 152.236

KE1700 150.220 502.086

KE1720 146.188

« KE1750 148.204 502.000 2.83

KE1760 148.204

KE1762 148.204

KE1800 148.204

KE1820 148.204

KE1821 148.204 248.914

KE1860 162.188 331.640

KE1900 162.188 303.640

KE1901 162.188 386.655 2.74

KE2000 247.131

KE2100 170.294 285.944 506.295 2.70

KE2104 170.294 287.744 500.554 2.68

KE2120 168.278

KE2130 196.246

KE2150 162.231 264.155

KE2155 162.231

KE2170 160.215

KE2190 275.142

KE2225 182.305 335.550 549.670 2.75

KE2235 182.305

KE2250 176.258 300.141 538.400

KE2260 170.210 568.721

KE2261 170.210 328.640 573.150

KE2300 198.348 300.641 541.172

KE2330 192.300 523.204

KE2331 192.300 3.50

KE2350 190.285 290.143 544.516

KE2365 182.221 320.989 579.097 2.98

KE2380 184.237 579.223

KE2430 210.232 368.148 620.160 3.71

KE2445 198.264

KE2460 208.216 558.019 649.984

KE2473 240.215 467.190 723.129

KE2474 240.215

KE2477 240.215

KE2506 226.401 312.389 567.786 2.73

KE2540 218.338 287.144

KE2545 210.275 307.640 604.154 2.81

KE2565 212.291

KE2630 258.316

KE2645 226.318

KE2680 323.229

KE2685 402.125

KE2688 337.213

KE2707 254.455 326.139 2.40

KE2745 234.297 385.154 3.30

KE2755 240.344

KE2775 230.265 447.181 3.41

50
Table 7. Compound constant values—Continued

KE2835 260.419 317.639

KE2845 254.371

KE3050 288.472 325.639

KE3310 338.616 342.441

KE3350 316.526 332.140

KE3712 394.723 350.343

KE4114 450.830 356.844

KE4516 506.937 361.846

2.50

2.32

51
5.1.2. Melting Point

Melting and freezing point values were transcribed along with the other

properties and listed by program CONCON. However, the values selected for

tabulation in Table 7 were usually obtained from the TRC Tables (3270]. A

value from another source was used only in those few instances when a highquality value published later than the TRC table appeared to provide better

information. No attempt was made to apply any external checks to the melting

point values, such as plotting the values for homologs versus carbon number.

No distinction was made between freezing and melting point values; both are

listed in Table 7 as melting point (MP) values.

A few triple point values were found in the literature but more often

than not the relation to the corresponding melting point appeared anomalous.

Hence the decision not to include the triple point values in Table 7.

5.1.3. Normal Boiling Point

As explained in section 4.1 and 4.2.3, the normal boiling point values

listed in Table 7 are those calculated from the final vapor pressure fits for

either range 2 or range 4. Table 8 shows how the final selected values differ

from the ketone values given in Ambrose [10318, 41765] and the TRC tables

[3270]. When normal boiling point values appeared in Ambrose [41765], they

were chosen as the tentative selected values and used as a guideline in the

vapor pressure data fitting, hence our values are biased toward the Ambrose

values

52
Table 8. Comparison of selected normal boiling

points with those of other compilations

This Other compilations

Compound report Ambrose [41765] TRC [3271

KE0300 329.207 329.200 329.429

KE0400 352.747 352.740 352.784

KE0500 375.408 375.410 375.460

KE0501 375.109 375.110 375.140

KE0505 367.482 367.480 367.548

KE0600 400.733 400.700 400.860

KE0601 396.656 396.600 396.658

KE0604 388.856 389.600 389.656

KE0605 388.032 386.554

KE0607 379.263 379.263 [10318] 379.452

KE0620 428.763 428.900

KE0700 424.206 424.200 424.070

KE0701 420.569 420.569

KE0702 417.259 417.167

KE0710 406.531 406.163

KE0720 396.818 397.559

KE0800 446.425 445.780

KEIOOO 468.465 467.490

KE1400 483.296 483.296

KE2100 506.295 506.300 [10318] 501.103

KE2300 541.172 541.200 [10318] 536.215

53
In Table 8, the differences between the final selected values and those

listed by Ambrose or the IRC tables are large enough to merit discussion for

seven compounds: KE0605, KE0710, KE0720, KE0800, KEIOOO, KE2100 and KE2300.

For KE0605, the input to program CONCON included three normal boiling

point values besides the value from the IRC table. Those values were 387.655

from Bryant et al. [8181], 388.255 from Ginnings et al. [13065] and 388.155

from Jamison et al. [21544]. All three were retained for the final correlation along with 9 points from Loginova et al. [15776] over the range from

300.15 to 382.15. Hence, all the information found supports the 388.032 K

value rather than the lower TRC value.

No normal boiling point values were found for KE0710. The only vapor

pressure data found was an equation from Mayberry and Aston [13799] which

gave 406.531 for the normal boiling point. There is no particular reason to

believe that value is any better than the 406.163 K value given by the TRC

tables

For KE0720, 10 normal boiling point values were found in the literature

and those values scattered around the TRC value of 397.55. Our vapor pressure

correlation is based upon points calculated from the equation of Mayberry and

Aston [13799] over the range 350 to 440 K, and on points from Dreisbach and

Shrader [1361] from 293 to 344 K. The Dreisbach and Shrader value for the normal boiling point was 398.409 whereas the Mayberry and Aston equation gives

396.818. The Mayberry et al. vapor pressure data were chosen over the Driesbach

et al. data in the 350 to 400 K range, primarily because the latter ended at

the normal boiling point while the former could be extrapolated (rightly or

wrongly) above the normal boiling point. The true normal boiling point probably

lies between the Mayberry et al. and the Driesbach et al. values in the vicinity

of the 397.559 value given by the TRC tables.

54
with the exception of two values which were about 3 K below all the other

values, all other literature values retrieved (six of them) for the normal

boiling point of KE0800 were above 446 K. The final vapor pressure correlations were based on the vapor pressure data of Geisler and Ratzsch [18439]

and the boiling point values reported by Deffet [5736] (446.681 K) , Bruhl

[5842] (100.352 kPa at 446.080 K), Ceuterick [9712] (100.658 kPa at 446.180 K)

Mironenko et al. [15791] (446.250 K) and Lecat [21283] (446.030 K) . It is

believed that the TRC table value is slightly low for KE0800.

For KE2100 and KE2300, the more recent data of Ambrose et al. [10318]

supersedes the older TRC values.

5.1.4. Critical Properties

Values for one or more critical properties were found for 14 compounds:

KE0300, KE0370, KE0380, KE0400, KE0500, KE0501, KE0505, KE0600, KE0601, KE0604,

KE0607, KE0620, KE0700, and KE1003. Ambrose [41765] lists selected values

for all of these compounds except for the two halogenated ketones KE0370 and

KE0380. No reason was found to change the values selected by Ambrose.

The compilation of Kudchadker, Alani and Zwolinski [1051] lists the T^

and values of Murphy [10015] for KE0370. Those values are evidently the

only existing ones. Also, the only vapor pressure data set for KE0370 is from

Murphy

Kudchadker et al. also selected Murphy's [10015] T^ and P^ values for

KE0380 because they were the only values available at the time. The values

which have appeared since then are listed below with Murphy's values.

55
T , K P, ,MPa

Murphy [10015] 357.245 2.841

Plaush and Pace [15034] 357.245 2.834

Glowka and Zawisza [16255] 357.185 2.837

Mousa, Kay and Kreglewski [7465] 357.135 2.832

Mousa [40009] 357.135 2.832

The values of Mouse [40009] were selected initially. However, the Murphy

and values worked a little better with the available vapor pressure values

near the critical point and were chosen as the final selected values.

When P , T and V were all available, Z was calculated using

c c c ’ c R 0.00831441 MPa cm^/mol K.

5.1.5. Acentric Factor

The acentric factor was calculated for every compound with and P^

values. The calculation was automatically done by program PFIT for every

vapor pressure fit. The acentric factor value selected for the compound was

the one from the correlation used to calculate the final normal boiling point

if T^ = 0.7 fell within the temperature range of that correlation. In some

instances when the normal boiling point was obtained from the range 2 fit, it

was necessary to use the acentric factor from the range 4 fit because

T^ = 0.7 fell outside range 2.

In the case of KE0601, due to limited data, the last selected data point

(besides the critical point) fell 1.35 K short of T^ “ 0.7, and for that compound the acentric factor was calculated from a correlation equation which

was extrapolated by that amount. This was the only one of the 14 acentric

factors whose calculation involved an extrapolation of the vapor pressure data.

56
5.1.6. Dipole Moment

The number of literature articles reporting dipole moments is large.

Most of that literature was retrieved for the data evaluation program because

dipole moment data usually involve binary density data. Unfortunately, the

processing and evaluation of the dipole moment data is beyond the scope of

our evaluation effort, and no attempt was made to process the literature

dipole moment data.

The dipole moment is an important property for physical property correlations, e.g., correlations for the second virial coefficient. As a convenience

for the users of this report, dipole moment values from McClellan [5266] have

been included in Table 7. When McClellan listed a recommended value for a

compound, that value was used. When no recommended value was listed, the

values in Table 7 were obtained by taking an arithmetic average of the literature values for solvent measurements listed by McClellan. Any values listed

for the pure gas or pure liquid were excluded from the averaging.

5.1.7. Radius of Gyration

Like the dipole moment, the radius of gyration is often used in physical

property correlations. As a convenience to the user, values from Thompson

[1706] are listed in Table 7. No attempt was made to check or extend the

Thompson values

.

57
5.2. Vapor Pressure

The vapor pressure correlation constants for the range 1, 2, 3 and 4 fits

are listed in tables 9, 10, 11 and 12 respectively. There are two lines for

each correlation, and the compound's identification number appears at the

beginning of each line.

The first item following the identification number on the first line for

each compound is a single letter—from A through K—which characterizes the

quality of the experimental data base for the correlation. Before discussing

the vapor pressure correlations in tables 9 through 12, it is necessary to

define the quality ratings and give the reader some insight as to how they

have been used for both the vapor pressure and liquid density correlations.
KE0300

KE0300

KE0305

KE0305

KE0360

KE0360

KE0361

KE0361

KE0362

KE0362

KE0370

KE0370

KE0380

KE038G

KE0400

KE0400

KE0410

KE0410

KE0420

KE0420

KE0430

KE0430

KE0440

KE0440

KE0445

KE0445

KE0446

KE0446

KE0450

KE0450

KE0451

KE0451

KE0460

KE0460

KE0500

KE0500

KE0501

KE0501

KE0505

KE0505

KE0510

KE0510

KE0520

KE0520

KE0530

KE0530

KE0540

KE0540

KE0555

KE0555

Table 9. Range 1 vapor pressure correlations

A 102 WAGNER**

-0.26773997D 01

I 12 RPM2 

0.12983094D-03

I 4 RPM2** **

0.12264536D-03

I 4 RPM2 

0.24994206D-04

J 5 RPM2** **

-0.34712350D-04

I 17 RIEDEL**

0.60184321D-16

G 35 WAGNER**

-0.72826939D 01

A 65 WAGNER**

-0.14844025D 01

J 9 RPM2 

-0.18881169D-03

H 16 RPM2** **

-0.34876835D-05

K 2 RPM2 

O.OOOOOOOOD 00

J 6 RPM2** **

-0.86319912D-03

J 13 RPM2 

-0.85404877D-03

K 2 RPM2** **

O.OOOOOOOOD 00

J 9 RPM2 

0.95103685D-04

J 8 RPM2** **

0.22344785D-03

I 17 RPM2 

0.29316526D-06

E 37 WAGNER** 

-0. 58445 133D 01

E 40 WAGNER**

-0.24178698D 01

E 34 WAGNER**

-0.75396462D 01

H 29 RPM2 

-0.19254584D-03

I 28 VAPRES-2

-0.24333219D-04

J 6 RPM2** **

0.31524389D-06

J 5 RPM2 

-0.36622482D-03

I 13 RPM2** **

0.48989525D-06

-0.74974490D 01 0.13173750D 01 -0.26754153D 01

0.50809985D 03 0.46999960D 01 247 509 O.IOD 01

0.51708912D 02 -0.74019867D 04 -0.11732730D 00

238 294 0.18D-01

0.63297187D 02 -0. 10289 174D 05 -0.13078063D 00

303 392 0.46D-03

0.26169771D 02 -0.55232119D 04 -0.28809006D-01

292 392 0.38D-03

0.43814304D 01 -0.42660432D 04 0.37510628D-01

348 446 0.33D-01

0.52021099D 02 -0.55057334D 01 -0.46044849D 04

232 411 0.72D 00

-0.76569653D 01 0.12828020D 01 -0.39738249D 01

0.35724463D 03 0.28411484D 01 194 358 0.29D 01

-0.76980638D 01 0.16857248D 01 -0.35946384D 01

0.53677979D 03 0.42069960D 01 265 537 0.33D 01

-0.36104822D 02 0. 79123257D 03 0.17481982D 00

260 363 0.33D 00

0.19664233D 02 -0.49770013D 04 -0.31815092D-02

249 381 0.84D-01

0.16936190D 02 -0.49228300D 04 O.OOOOOOOOD 00

343 400

-0.25859342D 03 0.2569 10 15D 05 0.84404370D 00

300 355 0.64D 00

-0.3783649 ID 03 0.46708999D 05 0.10059766D 01

372 416 0.85D 00

0.17404000D 02 -0.58193928D 04 O.OOOOOOOOD 00

343 456

0.68041358D 02 -0.1246955 ID 05 -0.12079499D 00

322 428 0.80D-0I

0.11101456D 03 -0.16741801D 05 -0.25145797D 00

306 410 0.90D-01

0.16738657D 02 -0.46777777D 04 -0.33828305D-03

309 391 0.18D-03

-0.73516670D 01 0.58891876D 00 -0.21522346D 01

0.56107983D 03 0.36939983D 01 282 545 0.26D 01

-0.70827199D 01 0.21564015D 00 -0.25715917D 01

0.56145996D 03 0.37289982D 01 282 545 0.37D 01

-0.72049532D 01 0.35067807D 00 -0.13709136D 01

0.55339990D 03 0.38499985D 01 276 550 0.45D 01

-0.48963358D 02 0.24378665D 04 0.19501662D 00

289 412 0.17D 00

0.24376810D

-0.39526822D

03

02

-0.11456854D 05 0.75261551D-01

273 539 0.12D 01

0.1 646640 ID 02 -0.45368554D 04 -0. 3565441 lD-03

355 380 O.OOD 00

-0.11112349D 03 0.10130898D 05 0.37424566D 00

311 371 0.16D 00

0.17581976D 02 -0.54557925D 04 -0.54307219D-03

272 333 O.llD-04

59
Table 9. Range 1 vapor pressure correlations —Continued

KE0563 I 5 RPM2  -0.36593305D 02 0.11972196D 04

KE0563 -0.10980973D-03

KE0565 I 14 RPM2** ** 0.20595620D 02 -0.56476721D 04

KE0565 0.21173870D-05

KE0566 I 8 RPM2**** 0.41970324D 02 -0.99808633D 04

KE0566 0.39833865D-04

KE0570 I 11 RPM2*^ 0.31404936D 02 -0.87815700D 04

KE0570 0.34129310D-04

KE0600 C 32 WAGNER** -0.81315482D 01 0.18766746D 01

KE0600 -0.27338595D 01 0.58700000D 03 0.33229990D 01

KE0601 C 24 WAGNER** -0.79647906D 01 0.17198839D 01

KE0601 -0.23051546D 01 0.58281982D 03 0.33199987D 01

KE0604 H 29 RIEDEL** 0.60863450D 02 -0.64833400D 01

KE0604 0.10731339D-16

KE0605 J 12 RPM2  0.67406874D 02 -0.11369426D 05

KE0605 0.10012928D-03

KE0607 C 38 WAGNER**  -0.76569055D 01 0.16102765D 01

KE0607 -0.28748554D 01 0.56700000D 03 0.34699984D 01

KE0620 H 32 WAGNER** -0.82635171D 01 0.91380629D 00

KE0620 -0. 10049 146D 02 0.62900000D 03 0.38499985D 01

KE0640 I 13 RPM2  0.12562638D 02 -0. 42869 180D 04

KE0640 -0.10948396D-04

KE0645 I 4 RPM2** ** 0.41406877D 02 -0.79886545D 04

KE0645 0.49977846D-04

KE0650 J 13 RPM2  0.40684782D 01 -0.37767853D 04

KE0650 -0.52451646D-04

KE0660 J 8 RIEDEL**  0. 460075 14D 04 -0.67240180D 03

KE0660 0.41021702D-14

KE0670 H 15 RPM2**** 0.21864140D 02 -0.64159922D 04

KE0670 0.36538030D-05

KE0680 I 4 RPM2  -0.53089226D 02 0.31022259D 04

KE0680 -0.14074304D-03

KE0700 F 46 WAGNER**  -0.99483801D 01 0.47053877D 01

KE0700 -0.17144393D 00 0.61150000D 03 0.34359989D 01

KE0702 I 7 RPM2**** 0.12619969D 02 -0.44925265D 04

KE0702 -0.11975873D-04

KE0710 I 11 RPM2  0.16894049D 02 -0.49772008D 04

KE0710 0.99568801D-07

KE0720 H 15 VAPRES-2 0. 4709935 7D 03 -0.15989232D 05

KE0720 -0.79336319D-04 -0.82270805D 02

KE0740 I 22 RPM2** ** 0.30238353D 02 -0.75018223D 04

KE0740 0.18152509D-04

KE0800 I 12 RPM2  -0.58281733D 02 0.46022852D 04

KE0800 -0.16244189D-03

KE0801 I 11 RPM2** ** -0.16377240D 02 -0.14125767D 04

KE0801 -0.82220634D-04

KE0802 J 12 RPM2  0.51574275D 02 -0.86523422D 04

KE0802 0.10186297D-03

KE0810 I 11 RPM2** ** 0.16856127D 02 -0.52338853D 04

KE0810 0.75498105D-07

KE0830 I 11 RPM2  0.16867186D 02 -0.51189412D 04

KE0830 0.73679066D-07

0.13428023D 00

382 A63 0.77D-02

-0.66797188D-02

317 419 0.18D 00

-0.52226934D-01

317 459 0.85D-01

-0.32014182D-01

277 333 0.13D-04

-0.4228746 ID 01

298 428 0.38D-02

-0. 425689 12D 01

298 407 0.35D-02

-0.68459575D 04

283 567 0.18D 01

-0.12515635D 00

300 389 0.52D 00

-0.36188184D 01

284 406 0.71D-02

-0.57455934D-01

302 582 0.63D 01

0.11158413D-01

401 561 0.15D 01

-0.61649738D-01

273 395 0.49D-03

0.45759886D-01

287 404 0.13D 00

-0.23440132D 06

392 402 0.25D-01

-0.77320691D-02

310 442 0.21D-02

0.17381281D 00

377 488 0.20D-02

-0.67889499D 01

274 453 0.60D-01

0.11623943D-01

273 418 0.13D-01

-0.12070011D-03

349 451 0.66D-03

0.19827006D 00

293 441 0.26D-01

-0.28252855D-01

313 465 0.31D-01

0.19032262D 00

293 447 0.13D 00

0.91139663D-01

293 441 0.13D 00

-0.10643159D 00

288 424 0.19D 00

-0.88892330D-04

380 481 0.64D-03

-0.88156709D-04

359 461 0.45D-03

60
Table 9. Range 1 vapor pressure correlations—Continued

KE0850 I 8 RPM2** ** 0.33729517D 02 -0. 826329 14D 04

KE0850 0.22649922D-04

KE0870 I 11 RPM2  0.17090378D 02 -0.55896563D 04

KE0870 0.39330977D-06

KE0890 I 13 RPM2** ** 0. 22435 782D 02 -0.67642090D 04

KE0890 0.20066396D-05

KE0910 I 4 RIEDEL** 0.23473348D 04 -0.34498341D 03

KE0910 0.25357439D-14

KE0950 G 58 VAPRES-2 -0.26240368D 04 0.50707528D 05

KE0950 0.60820529D-03 0.49191888D 03

KE0980 J 7 RPM2  0.63746621D 02 -0.13829575D 05

KE0980 0.64946645D-04

KEIOOO I 23 VAPRES-2 0.25066182D 04 -0.66711165D 05

KEIOOO -0.48792265D-03 -0.45344764D 03

KE1003 C 31 WAGNER**  -0.86650883D 01 0.18886549D 01

K£1003 -0.29487241D 01 0.64000000D 03 0.23199987D 01

KE1020 I 13 VAPRES-2 0.40176615D 03 -0.17039623D 05

KE1020 -0.44344156D-04 -0.66788250D 02

KE1060 I 11 RPM2**** 0.17107479D 02 -0.58037434D 04

KE1060 0.35515840D-06

KEllOO I 18 RPM2  0.42065341D 02 -0.96075335D 04

KEllOO 0.39838002D-04

KE1180 I 7 RPM2** ** -0.31931183D 02 0.76175152D 03

KE1180 -0.91697854D-04

KE1200 I 17 RPM2  0.17973910D 02 -0.63745665D 04

KE1200 0.12669434D-05

KE1500 I 15 RPM2** ** 0. 44285 192D 02 -0.10504622D 05

KE1500 0. 3922435 lD-04

KE1600 I 16 RPM2  0.16332197D 02 -0.54509453D 04

KE1600 0.79497020D-07

KE1620 H 21 RPM2** ** -0.73204088D 02 0.90466559D 04

KE1620 -0.12508377D-03

KE1700 I 16 RPM2  0.17009724D 02 -0.62063641D 04

KE1700 0.87991144D-07

KE1720 I 20 RPM2** ** 0.99367506D 02 -0.19759721D 05

KE1720 0.11966357D-03

KE1800 K 2 RPM2  0. 156305 lOD 02 -0.58530705D 04

KE1800 O.OOOOOOOOD 00

KE1820 J 11 RPM2** ** 0.25265859D 02 -0.47381032D 04

KE1820 0.47445496D-04

KE1821 J 8 RPM2  -0. 834249 14D 02 0.52538877D 04

KE1821 -0.33243093D-03

KE1900 J 5 RPM2** ** -0.99897398D 02 0.12670804D 05

KE1900 -0.14890088D-03

KE1901 J 8 RPM2  0.66819317D 04 -0.92881114D 06

KE1901 0.12896429D-01

KE2100 F 35 RPM2** *^ 0.39808738D 02 -0.10382444D 05

KE2100 0.23468422D-04

KE2104 C 32 VAPRES-2 0.38789128D 03 -0.19284923D 05

KE2104 -0.29008985D-04 -0.62369530D 02

KE2120 I 7 RPM2**** -0.43389210D 02 0.30307622D 04

KE2120 -0.92236652D-04

-0. 3096395 lD-01

287 409 0.59D-01

-0.45415371D-03

279 381 0.21D-04

-0.84645315D-02

394 485 0.39D-01

-0.11554548D 06

332 457 0.76D-05

-0.13624744D 01

303 476 0.16D 00

-0.95899972D-01

415 511 0.42D-01

0.11440382D 01

333 469 0.35D-01

-0.55050132D 01

298 486 0.79D-02

0.12875484D 00

333 454 O.lOD-02

-0.41235569D-03

299 401 0.34D-04

-0.56094570D-01

333 494 0.73D-03

0.1 163069 ID 00

405 491 0.56D-01

-0.17194104D-02

369 521 0.85D-02

-0.57468922D-01

353 424 0.20D-03

-0. 9479123 lD-04

369 521 0.66D-03

0.18287068D 00

451 500 0.33D 00

-0.10441452D-03

369 521 0.32D-03

-0.17211686D 00 , 375 535 0.44D-02

O.OOOOOOOOD 00

395 403

-0.49092128D-01

292 417 0.26D-01

0.31324636D 00

294 368 0.30D-01

0.23088809D 00

323 418 0.13D-01

-0.16059749D 02

388 431 0.26D-01

-0.40885275D-01

298 539 0.36D-01

0.10027672D 00

298 532 0.12D-01

0.12861987D 00

449 501 O.lOD-01

61
Table 9. Range 1 vapor pressure correlations —Continued

KE2225 I 23 VAPRES-2 -0.30334436D 03 -0.12188523D 03 -0.14965503D 00

KE2225 0.56469159D-04 0.59179741D 02 408 564 0.18D-01

KE2261 K 2 RPM2  0.19418350D 02 -0.84826264D 04 O.OOOOOOOOD 00

KE2261 O.OOOOOOOOD 00 417 574

KE2300 F 19 VAPRES-2 -0.62855974D 03 0.57720465D 04 -0.31642310D 00

KE2300 0.12610738D-03 0.12024952D 03 333 542 0.53D-01

KE2330 J 10 RPM2** ** 0.44650283D 02 -0.11158370D 05 -0.57059059D-01

KE2330 0.40726555D-04 286 524 O.lOD-01

KE2331 J 10 RPM2  -0.19575553D 04 0.1963148 ID 06 0.6373645 ID 01

KE2331 -0.68379550D-02 291 330 0.25D-03

KE2365 G 45 VAPRES-2 -0.73382832D 03 0.11307120D 05 -0.29425735D 00

KE2365 0. 10027 145D-03 0.13451238D 03 329 622 0.30D 00

KE;2460 J 26 RIEDEL**  0.36652016D 03 -0.48575010D 02 -0.32112042D 05

KE2460 0.28048558D-16 558 651 0.31D 00

KE2473 J 7 RPM2**** -0.22362756D 01 -0.64738203D 04 0.43962829D-01

KE2473 -0.30566467D-04 474 724 0.38D-01

KE2474 J 22 RPM2  0.18832730D 03 -0.38592193D 05 -0.36089778D 00

KE2474 0.26967276D-03 410 496 O.lOD-02

KE2477 J 20 RPM2** ** -0.35975370D 00 -0.10541719D 05 0.76920902D-01

KE2477 -0. 6826435 lD-04 373 457 0.51D-03

KE2506 C 16 RPM2  0.50594333D 02 -0.13634600D 05 -0.56890913D-01

KE2506 0.32071991D-04 437 601 0.51D 00

KE2545 I 39 RIEDEL**  0.73424260D 02 -0.76018739D 01 -0.12094587D 05

KE2545 -0.21751014D-17 503 604 0.15D 00

KE2775 J 9 RPM2**** 0.54175963D 03 -0.10033771D 06 -0.10049879D 01

KE2775 0.63820178D-03 456 549 0.12D-01

KE3350 K 2 RPM2  0.28106180D 02 -0.14368583D 05 O.OOOOOOOOD 00

KE3350 O.OOOOOOOOD 00 443 525

62
Table 10. Range 2 vapor pressure correlations

KE0300 A 79 WAGNER**  -0.75475020D 01 0.14452612D 01 -0.29036443D 01

KE0300 -0.21275823D 01 0.50809985D 03 0.46999960D 01 247 348 0.28D-01

KE0305 I 12 RPM2**** 0.51708912D 02 -0.74019867D 04 -0.11732730D 00

KE0305 0.12983094D-03 238 294 0.18D-01

KE0360 I 4 RPM2  0.63297187D 02 -0. 10289 174D 05 -0.13078063D 00

KE0360 0.12264536D-03 303 392 0.46D-03

KE0361 I 4 RPM2** ** 0.26169771D 02 -0.55232119D 04 -0.28809006D-01

KE0361 0.24994206D-04 292 392 0.38D-03

KE0362 J 5 RPM2  0.43814304D 01 -0.42660432D 04 0.37510628D-01

KE0362 -0.34712350D-04 348 446 0.33D-01

KE0370 I 7 RIEDEL**  0.51924067D 02 -0.54678495D 01 -0.46277611D 04

KE0370 -0.94190148D-17 232 287 0.99D-01

KE0380 G 15 WAGNER** -0.68017611D 01 -0.90258908D 00 0.74037148D-01

KE0380 -0.18709122D 02 0.35724463D 03 0.28411484D 01 194 265 0.21D 00

KE0400 A 39 WAGNER** -0.80361159D 01 0.24595576D 01 -0.46452494D 01

KE0400 0.20832996D 00 0.53677979D 03 0.42069960D 01 265 371 0.53D-01

KE0410 J 9 RPM2  -0.36104822D 02 0. 7912325 7D 03 0.17481982D 00

KE0410 -0. 18881 169D-03 260 363 0.33D 00

KE0420 H 16 RPM2** ** 0.19664233D 02 -0.49770013D 04 -0.31815092D-02

KE0420 -0.34876835D-05 249 381 0.84D-01

KE0430 K 2 RPM2  0.16936190D 02 -0.49228300D 04 O.OOOOOOOOD 00

KE0430 O.OOOOOOOOD 00 343 400

KE0440 J 6 RPM2** ** -0.25859342D 03 0.25691015D 05 0.84404370D 00

KE0440 -0.86319912D-03 300 355 0.64D 00

KE0445 J 13 RPM2  -0.37836491D 03 0.46708999D 05 0.10059766D 01

KE0445 -0.85404877D-03 372 416 0.85D 00

KE0446 K 2 RPM2** ** 0.17404000D 02 -0.58193928D 04 O.OOOOOOOOD 00

KE0446 O.OOOOOOOOD 00 343 456

KE0450 J 9 RPM2  0.68041358D 02 -0.1246955 ID 05 -0.12079499D 00

KE0450 0.95103685D-04 322 428 0.80D-01

KE0451 J 8 RPM2** ** 0.11101456D 03 -0.16741801D 05 -0.25145797D 00

KE0451 0.22344785D-03 306 410 0.90D-01

KE0460 I 17 RPM2  0.16738657D 02 -0.46777777D 04 -0.33828305D-03

KE0460 0.29316526D-06 309 391 0.18D-03

KE0500 A 25 WAGNER**  -0.76517516D 01 0.13209503D 01 -0.33462984D 01

KE0500 -0.32001583D 01 0.56107983D 03 0.36939983D 01 282 395 0.29D-01

KE0501 A 24 WAGNER** -0.77760626D 01 0.17033533D 01 -0.41525350D 01

KE0501 -0.13722948D 01 0.56145996D 03 0.37289982D 01 282 385 0.35D-02

KE0505 B 25 WAGNER** -0.79425250D 01 0.20530981D 01 -0.37421557D 01

KE0505 -0.34919809D 01 0.55339990D 03 0.38499985D 01 276 377 O.lOD-01

KE0510 H 29 RPM2  -0.48963358D 02 0.24378665D 04 0.19501662D 00

KE0510 -0.19254584D-03 289 412 0.17D 00

KE0520 I 17 VAPRES-2 0.56206527D 03 -0.18068105D 05 0.25540648D 00

KE0520 -0.11377508D-03 -0.99531428D 02 273 416 0.31D-01

KE0530 J 6 RPM2** ** 0.1646640 ID 02 -0.45368554D 04 -0. 3565441 lD-03

KE0530 0.31524389D-06 355 380 O.OOD 00

KE0540 J 5 RPM2  -0.11112349D 03 0.10130898D 05 0.37424566D 00

KE0540 -0.36622482D-03 311 371 0.16D 00

KE0555 I 13 RPM2** ** 0.17581976D 02 -0.54557925D 04 -0.54307219D-03

KE0555 0.48989525D-06 272 333 O.llD-04

KE0563 I 5 RPM2  -0.36593305D 02 0.11972196D 04 0.13428023D 00

KE0563 -0.10980973D-03 382 463 0.77D-02

63
Table 10. Range 2 vapor pressure correlations —Continued

KE0565 I 14 RPM2** ** 0.20595620D 02 -0.56476721D 04 -0.66797188D-02

KE0565 0.21173870D-05 317 419 0.18D 00

KE0566 I 8 RPM2  0.41970324D 02 -0.99808633D 04 -0.52226934D-01

KE0566 0.39833865D-04 317 459 0.85D-01

KE0570 I 11 RPM2** ** 0.31404936D 02 -0.87815700D 04 -0.32014182D-01

KE0570 0.34129310D-04 277 333 0.13D-04

KE0600 C 30 WAGNER** -0.81216982D 01 0.18535284D 01 -0.41948020D 01

KE0600 -0.27979991D 01 0.58700000D 03 0.33229990D 01 298 417 0.29D-02

KE0601 C 24 WAGNER** -0.79647906D 01 0.17198839D 01 -0.42568912D 01

KE0601 -0.23051546D 01 0.58281982D 03 0.33199987D 01 298 407 0.35D-02

KE0604 H 11 WAGNER** -0.54683310D 01 -0.42671786D 01 0.52946853D 01

KE0604 -0.22805945D 02 0.57100000D 03 0.32699986D 01 283 389 0.84D-01

KE0605 J 12 RPM2  0.67406874D 02 -0.11369426D 05 -0.12515635D 00

KE0605 0.10012928D-03 300 389 0.52D 00

KE0607 C 36 WAGNER**  -0.76403269D 01 0.15718952D 01 -0.35647812D 01

KE0607 -0.29702606D 01 0.56700000D 03 0.34699984D 01 284 395 0.68D-02

KE0620 H 23 WAGNER** -0.10550075D 02 0.62701309D 01 -0.77788104D 01

KE0620 0.36400539D 01 0.62900000D 03 0.38499985D 01 302 434 0.67D-01

KE0645 I 4 RPM2  0.41406877D 02 -0.79886545D 04 -0.61649738D-01

KE0645 0.49977846D-04 273 395 0.49D-03

KE0650 J 13 RPM2** ** 0.40684782D 01 -0.37767853D 04 0.45759886D-01

KE0650 -0.52451646D-04 287 404 0.13D 00

KE0660 J 8 RIEDEL** 0. 460075 14D 04 -0.67240180D 03 -0.23440132D 06

KE0660 0.41021702D-14 392 402 0.25D-01

KE0670 H 15 RPM2  0.21864140D 02 -0.64159922D 04 -0.77320691D-02

KE0670 0.36538030D-05 310 442 0.21D-02

KE0680 I 4 RPM2** ** -0.53089226D 02 0.31022259D 04 0.17381281D 00

KE0680 -0.14074304D-03 377 488 0.20D-02

KE0700 F 44 WAGNER** -0.98709446D 01 0.45299059D 01 -0.65596530D 01

KE0700 -0.50714254D 00 0.61150000D 03 0.34359989D 01 274 442 0.39D-01

KE0702 I 7 RPM2  0.12619969D 02 -0.44925265D 04 0.11623943D-01

KE0702 -0.11975873D-04 273 418 0.13D-01

KE0710 I 8 RPM2** ** 0.16968053D 02 -0.49868283D 04 -0.30987682D-03

KE0710 0.26042134D-06 349 421 0.36D-03

KE0720 H 12 RPM2  0.31024959D 02 -0.65104600D 04 -0.38616077D-01

KE0720 0.33808294D-04 293 411 0.30D-01

KE0740 I 22 RPM2** ** 0.30238353D 02 -0.75018223D 04 -0.28252855D-01

KE0740 0.18152509D-04 313 465 0.31D-01

KE0800 I 12 RPM2  -0.58281733D 02 0.46022852D 04 0.19032262D 00

KE0800 -0.16244189D-03 293 447 0.13D 00

KE0801 I 11 RPM2** ** -0.16377240D 02 -0.14125767D 04 0.91139663D-01

KE0801 -0.82220634D-04 293 441 0.13D 00

KE0802 J 12 RPM2  0.51574275D 02 -0.86523422D 04 -0.10643159D 00

KE0802 0.10186297D-03 288 424 0.19D 00

KE0810 I 11 RPM2** ** 0.16856127D 02 -0.52338853D 04 -0.88892330D-04

KE0810 0.75498105D-07 380 481 0.64D-03

KE0830 I 11 RPM2  0.16867186D 02 -0.51189412D 04 -0.88156709D-04

KE0830 0.73679066D-07 359 461 0.45D-03

KE0850 I 8 RPM2** ** 0.33729517D 02 -0.82632914D 04 -0.30963951D-01

KE0850 0.22649922D-04 287 409 0.59D-01

KE0870 I 11 RPM2  0.17090378D 02 -0.55896563D 04 -0.45415371D-03

KE0870 0.39330977D-06 279 381 0.21D-04

64
Table 10. Range 2 vapor pressure correlations —Continued

KE0890 I 13 RPM2** ** 0. 22435 782D 02 -0.67642090D 04 -0.84645315D-02

KE0890 0.20066396D-05 394 485 0.39D-01

KE0910 I 4 RIEDEL** 0.23473348D 04 -0.34498341D 03 -0.11554548D 06

KE0910 0.25357439D-14 332 457 0.76D-05

KE0950 G 58 VAPRES-2 -0.26240368D 04 0.50707528D 05 -0.13624744D 01

KE0950 0.60820529D-03 0.49191888D 03 303 476 0.16D 00

KE0980 j 7 RPM2  0.63746621D 02 -0.13829575D 05 -0.95899972D-01

KE0980 0.64946645D-04 415 511 0.42D-01

KEIOOO I 23 VAPRES-2 0.25066182D 04 -0.66711165D 05 0.11440382D 01

KEIOOO -0.48792265D-03 -0.45344764D 03 333 469 0.35D-01

KE1003 C 30 WAGNER**  -0.86610867D 01 0.18792310D 01 -0.54913237D 01

KE1003 -0.29722768D 01 0.64000000D 03 0.23199987D 01 298 480 0.74D-02

KE1020 I 13 VAPRES-2 0.40176615D 03 -0.17039623D 05 0.12875484D 00

KE1020 -0.44344156D-04 -0.66788250D 02 333 454 O.lOD-02

KE1060 I 11 RPM2**** 0.17107479D 02 -0.58037434D 04 -0.41235569D-03

KE1060 0.35515840D-06 299 401 0.34D-04

KEllOO I 18 RPM2  0.42065341D 02 -0.96075335D 04 -0.56094570D-01

KEllOO 0.39838002D-04 333 494 0.73D-03

KE1180 I 7 RPM2** ** -0.31931183D 02 0.76175152D 03 0.1 163069 ID 00

KE1180 -0.91697854D-04 405 491 0.56D-01

KE1200 I 16 RPM2  0.181 1445 9D 02 -0.63943280D 04 -0.20508118D-02

KE1200 0.15259788D-05 369 511 0.70D-02

KE1500 I 15 RPM2** ** 0. 44285 192D 02 -0.10504622D 05 -0.57468922D-01

KE1500 0. 3922435 lD-04 353 424 0.20D-03

KE1600 I 12 RPM2  0.16348405D 02 -0.54532192D 04 -0.13314052D-03

KE1600 0.10961990D-06' 369 481 0.17D-03

KE1620 H 21 RPM2** ** -0.73204088D 02 0.90466559D 04 0.18287068D 00

KE1620 -0.12508377D-03 451 500 0.33D 00

KE1700 I 16 RPM2  0.17009724D 02 -0.62063641D 04 -0.10441452D-03

KE1700 0.87991144D-07 369 521 0.32D-03

KE1720 I 20 RPM2** ** 0.99367506D 02 -0.19759721D 05 -0.17211686D 00

KE1720 0.11966357D-03 375 535 0.44D-02

KE1800 K 2 RPM2  0. 156305 lOD 02 -0.58530705D 04 O.OOOOOOOOD 00

KE1800 O.OOOOOOOOD 00 395 403

KE1820 J 11 RPM2** ** 0.25265859D 02 -0.47381032D 04 -0.49092128D-01

KE1820 0.47445496D-04 292 417 0.26D-01

KE1821 J 8 RPM2  -0. 834249 14D 02 0.52538877D 04 0.31324636D 00

KE1821 -0.33243093D-03 294 368 0.30D-01

KE1900 J 5 RPM2** ** -0.99897398D 02 0.12670804D 05 0.23088809D 00

KE1900 -0.14890088D-03 323 418 0.13D-01

KE1901 J 8 RPM2  0.66819317D 04 -0.92881114D 06 -0.16059749D 02

KE1901 0.12896429D-01 388 431 0.26D-01

KE2100 F 33 RPM2** ** 0.39858830D 02 -0.10388870D 05 -0.41013400D-01

KE2100 0.23576007D-04 298 527 0.28D-01

KE2104 C 30 VAPRES-2 0.40188328D 03 -0.19622726D 05 0.10659951D 00

KE2104 -0.31594792D-04 -0.64916970D 02 298 521 0.13D-01

KE2120 I 7 RPM2  -0.43389210D 02 0.30307622D 04 0.12861987D 00

KE2120 -0.92236652D-04 449 501 O.lOD-01

KE2225 I 22 VAPRES-2 -0.35752726D 03 0.13802298D 04 -0.16995624D 00

KE2225 0.63613684D-04 0.68760896D 02 408 556 0.16D-01

KE2261 K 2 RPM2** ** 0.19418350D 02 -0.84826264D 04 O.OOOOOOOOD 00

KE2261 O.OOOOOOOOD 00 417 574

65
Table 10. Range 2 vapor pressure correlations —Continued

KE2300 F 19 VAPRES-2 -0.62855974D 03 0.57720465D 04 -0.31642310D 00

KE2300 0.12610738D-03 0.12024952D 03 333 542 0.53D-01

KE2330 J 10 RPM2^*^*** 0.44650283D 02 -0.11158370D 05 -0.57059059D-01

KE2330 0.40726555D-04 286 524 O.lOD-01

KE2331 J 10 RPM2*^ -0.19575553D 04 0.19631481D 06 0.6373645 ID 01

KE2331 -0.68379550D-02 291 330 0.25D-03

KE2365 G 41 VAPRES-2 -0.99581025D 03 0.18157724D 05 -0.39969474D 00

KE2365 0.13929486D-03 0.18137657D 03 329 598 0.20D 00

KE2460 J 26 RIEDEL** 0.36652016D 03 -0.48575010D 02 -0.32112042D 05

KE2460 0.28048558D-16 558 651 0.31D 00

KE2473 J 7 RPM2  -0.22362756D 01 -0.64738203D 04 0.43962829D-01

KE2473 -0.30566467D-04 474 724 0.38D-01

KE2474 J 22 RPM2** ** 0.18832730D 03 -0.38592193D 05 -0.36089778D 00

KE2474 0.26967276D-03 410 496 O.lOD-02

KE2477 J 20 RPM2^  -0.35975370D 00 -0.10541719D 05 0.76920902D-01

KE2477 -0. 6826435 lD-04 373 457 0.51D-03

KE2506 C 14 RPM2** ** 0.39391556D 02 -0.11775235D 05 -0.34494615D-01

KE2506 0.17216390D-04 437 576 0.22D 00

KE2545 I 39 RIEDEL** 0.73424260D 02 -0.76018739D 01 -0.12094587D 05

KE2545 -0.21751014D-17 503 604 0.15D 00

KE2775 J 9 RPM2  0.54175963D 03 -0.10033771D 06 -0.10049879D 01

KE2775 0.63820178D-03 456 549 0.12D-01

KE3350 K 2 RPM2** ** 0.28106180D 02 -0.14368583D 05 O.OOOOOOOOD 00

KE3350 O.OOOOOOOOD 00 443 525

66
Table 11. Range 3 vapor pressure correlations

KE0300 A 93 WAGNER** -0 . 76478446D 01 0.16786170D 01 -0.32366434D 01

KE0300 -0.15276237D 01 0.50809985D 03 0.46999960D 01 247 398 0.96D-01

KE0305 I 12 RPM2  0.51708912D 02 -0. 7401986 7D 04 -0.11732730D 00

KE0305 0.12983094D-03 238 294 0.18D-01

KE0360 I 4 RPM2** ** 0.63297187D 02 -0.10289174D 05 -0.13078063D 00

KE0360 0.12264536D-03 303 392 0.46D-03

KE0361 I 4 RPM2  0.26169771D 02 -0.55232119D 04 -0.28809006D-01

KE0361 0.24994206D-04 292 392 0.38D-03

KE0362 J 5 RPM2** ** 0.43814304D ,01 -0.42660432D 04 0.37510628D-01

KE0362 -0.34712350D-04 348 446 0.33D-01

KE0370 I 11 VAPRES-2 0.4888771 ID 03 -0.12792830D 05 0.28424310D 00

KE0370 -0.15548657D-03 -0.89800244D 02 232 345 0.35D 00

KE0380 G 22 WAGNER** -0.7486447 2D 01 0.82054154D 00 -0.29970338D 01

KE0380 -0.10487798D 02 0.35724463D 03 0.28411484D 01 194 304 0.12D 01

KE0400 A 49 WAGNER** -0.76396468D 01 0.15330646D 01 -0.33071878D 01

KE0400 -0.22181141D 01 0.53677979D 03 0.42069960D 01 265 448 0.1 8D 00

KE0410 J 9 RPM2  -0.36104822D 02 0,79 12325 7D 03 0.17481982D 00

KE0410 -0. 18881 169D-03 260 363 0.33D 00

KE0420 H 16 RPM2** ** 0.19664233D 02 -0.49770013D 04 -0.31815092D-02

KE0420 -0.34876835D-05 249 381 0.84D-01

KE0430 K 2 RPM2  0.16936190D 02 -0.49228300D 04 O.OOOOOOOOD 00

KE0430 O.OOOOOOOOD 00 343 400

KE0440 J 6 RPM2** ** -0.25859342D 03 0.25691015D 05 0.84404370D 00

KE0440 -0.86319912D-03 300 355 0.64D 00

KE0445 J 13 RPM2  -0.3783649 ID 03 0.46708999D 05 0.10059766D 01

KE0445 -0.85404877D-03 372 416 0.85D 00

KE0446 K 2 RPM2** ** 0.17404000D 02 -0.58193928D 04 O.OOOOOOOOD 00

KE0446 O.OOOOOOOOD 00 343 456

KE0450 J 9 RPM2  0.68041358D 02 -0.12469551D 05 -0.12079499D 00

KE0450 0.95103685D-04 322 428 0.80D-01

KE0451 J 8 RPM2** ** 0.11101456D 03 -0.16741801D 05 -0.25145797D 00

KE0451 0.22344785D-03 306 410 0.90D-01

KE0460 I 17 RPM2  0.16738657D 02 -0.46777777D 04 -0.33828305D-03

KE0460 0.29316526D-06 309 391 0.18D-03

KE0500 E 27 WAGNER**  -0.75098802D 01 0.98487982D 00 -0.28407473D 01

KE0500 -0.41918431D 01 0.56107983D 03 0.36939983D 01 282 473 0.28D 00

KE0501 E 29 WAGNER** -0.64924142D 01 -0.12998031D 01 0.20895716D 00

KE0501 -0.94551795D 01 0.56145996D 03 0.37289982D 01 282 473 0.12D 01

KE0505 B 25 WAGNER** "0.79425250D 01 0.20530981D 01 -0.37421557D 01

KE0505 -0.34919809D 01 0.55339990D 03 0.38499985D 01 276 377 O.lOD-01

KE0510 H 29 RPM2  -0.48963358D 02 0.24378665D 04 0.19501662D 00

KE0510 -0.19254584D-03 289 412 0.17D 00

KE0520 I 28 VAPRES-2 0.24376810D 03 -0.11456854D 05 0. 7526155 lD-01

KE0520 -0.24333219D-04 -0.39526822D 02 273 539 0.12D 01

KE0530 J 6 RPM2** ** 0.1 646640 ID 02 -0.45368554D 04 -0.35654411D-03

KE0530 0.31524389D-06 355 380 O.OOD 00

KE0540 J 5 RPM2  -0.11112349D 03 0.10130898D 05 0.37424566D 00

KE0540 -0.36622482D-03 311 371 0.16D 00

KE0555 I 13 RPM2** ** 0.17581976D 02 -0.54557925D 04 -0.54307219D-03

KE0555 0.48989525D-06 272 333 O.llD-04

KE0563 I 5 RPM2**** -0.36593305D 02 0.11972196D 04 0.13428023D 00

KEC563 -0.10980973D-03 382 463 0.77D-02

67
Table 11. Range 3 vapor pressure correlations-Continued

KE0565 I 14 RPM2*^ 0.20595620D 02 -0.56476721D 04

KE0565 0.21173870D-05

KE0566 I 8 RPM2**** 0.41970324D 02 -0.99808633D 04

KE0566 0.39833865D-04

KE0570 I 11 RPM2**^ 0.31404936D 02 -0.87815700D 04

KE0570 0.34129310D-04

KE0600 C 32 WAGNER** -0.81315482D 01 0.18766746D 01

KE0600 -0.27338595D 01 0.58700000D 03 0.33229990D 01

KE0601 C 24 WAGNER** -0.79647906D 01 0.17198839D 01

KE0601 -0.23051546D 01 0.58281982D 03 0.33199987D 01

KE0604 H 15 WAGNER** -0.69749525D 01 -0.78241822D 00

KE0604 -0.14350688D 02 0.57100000D 03 0.32699986D 01

KE0605 J 12 RPM2  0.67406874D 02 -0.11369426D 05

KE0605 0.10012928D-03

KE0607 C 38 WAGNER**  -0.76569055D 01 0.16102765D 01

KE0607 -0.28748554D 01 0.56700000D 03 0.34699984D 01

KE0620 H 26 WAGNER** -0.86065609D 01 0.17456880D 01

KE0620 -0.74119991D 01 0.62900000D 03 0.38499985D 01

KE0640 I 13 RPM2  0.12562638D 02 -0. 42869 180D 04

KE0640 -0.10948396D-04

KE0645 I 4 RPM2** ** 0.41406877D 02 -0.79886545D 04

KE0645 0.49977846D-04

KE0650 J 13 RPM2  0.40684782D 01 -0.37767853D 04

KE0650 -0.52451646D-04

KE0660 J 8 RIEDEL**  0. 460075 14D 04 -0.67240180D 03

KE0660 0.41021702D-14

KE0670 H 15 RPM2**** 0.21864140D 02 -0.64159922D 04

KE0670 0.36538030D-05

KE0680 I 4 RPM2  -0.53089226D 02 0.31022259D 04

KE0680 -0.14074304D-03

KE0700 F 46 WAGNER**  -0.99483801D 01 0.47053877D 01

KE0700 -0.17144393D 00 0.61150000D 03 0.34359989D 01

KE0702 I 7 RPM2**** 0.12619969D 02 -0.44925265D 04

KE0702 -0.11975873D-04

KE0710 I 11 RPM2  0.16894049D 02 -0.49772008D 04

KE0710 0.99568801D-07

KE0720 H 15 VAPRES-2 0.47099357D 03 -0.15989232D 05

KE0720 -0.79336319D-04 -0.82270805D 02

KE0740 I 22 RPM2** ** 0.30238353D 02 -0.75018223D 04

KE0740 0.18152509D-04

KE0800 I 12 RPM2  -0.58281733D 02 0.46022852D 04

KE0800 -0.16244189D-03

KE0801 I 11 RPM2** ** -0.16377240D 02 -0.14125767D 04

KE0801 -0.82220634D-04

KE0802 J 12 RPM2  0.51574275D 02 -0.86523422D 04

KE0802 0.10186297D-03

KE0810 I 11 RPM2** ** 0.16856127D 02 -0.52338853D 04

KE0810 0.75498105D-07

KE0830 I 11 RPM2  0.16867186D 02 -0.51189412D 04

KE0830 0.73679066D-07

KE0850 I 8 RPM2** ** 0.33729517D 02 -0. 826329 14D 04

KE0850 0.22649922D-04

-0.66797188D-02

317 419 0.18D 00

-0.52226934D-01

317 459 0.85D-01

-0.32014182D-01

277 333 0.13D-04

-0.4228746 ID 01

298 428 0.38D-02

-0.42568912D 01

298 407 0.35D-02

0.41328603D 00

283 484 0.13D 01

-0.12515635D 00

300 389 0.52D 00

-0.361881840 01

284 406 0.71D-02

-0.13681218D 01

302 533 0.12D 01

0.11158413D-01

401 561 0.15D 01

-0.61649738D-01

273 395 0.49D-03

0.45759886D-01

287 404 0.13D 00

-0.23440132D 06

392 402 0.25D-01

-0.77320691D-02

310 442 0.21D-02

0.17381281D 00

377 488 0.20D-02

-0.67889499D 01

274 453 0.60D-01

0.11623943D-01

273 418 0.13D-01

-0.12070011D-03

349 451 0.66D-03

0.19827006D 00

293 441 0.26D-01

-0.28252855D-01

313 465 0.31D-01

0.19032262D 00

293 447 0.13D 00

0.91139663D-01

293 441 0.13D 00

-0.10643159D 00

288 424 0.19D 00

-0.88892330D-04

380 481 0.64D-03

-0.88156709D-04

359 461 0.45D-03

-0.30963951D-01

287 409 0.59D-01

68
Table 11. Range 3 vapor pressure correlations —Continued

KE0870 I 11 RPM2  0.17090378D 02 -0.55896563D 04 -0.45415371D-03

KE0870 0.39330977D-06 279 381 0.21D-04

KE0890 I 13 RPM2** ** 0.22435782D 02 -0.67642090D 04 -0.84645315D-02

KE0890 0.20066396D-05 394 485 0.39D-01

KE0910 I 4 RIEDEL** 0.23473348D 04 -0.34498341D 03 -0.11554548D 06

KE0910 0.25357439D-14 332 457 0.76D-05

KE0950 G 58 VAPRES-2 -0.26240368D 04 0.50707528D 05 -0.13624744D 01

KE0950 0.60820529D-03 0.49191888D 03 303 476 0.16D 00

KE0980 J 7 RPM2  0.63746621D 02 -0.13829575D 05 -0.95899972D-01

KE0980 0.64946645D-04 415 511 0.42D-01

KEIOOO I 23 VAPRES-2 0.25066182D 04 -0.66711165D 05 0.11440382D 01

KEIOOO -0.48792265D-03 -0.45344764D 03 333 469 0.35D-01

KE1003 C 31 WAGNER**  -0.86650883D 01 0.18886549D 01 -0.55050132D 01

KE1003 -0.29487241D 01 0.64000000D 03 0.23199987D 01 298 486 0.79D-02

KE1020 I 13 VAPRES-2 0.40176615D 03 -0.17039623D 05 0.12875484D 00

KE1020 -0.44344156D-04 -0.66788250D 02 333 454 O.lOD-02

KE1060 I 11 RPM2**** 0.17107479D 02 -0.58037434D 04 -0.41235569D-03

KE1060 0.35515840D-06 299 401 0.34D-04

KEllOO I 18 RPM2  0.42065341D 02 -0.96075335D 04 -0.56094570D-01

KEllOO 0.39838002D-04 333 494 0.73D-03

KE1180 I 7 RPM2** ** -0.31931183D 02 0. 76175 152D 03 0.11630691D 00

KE1180 -0.91697854D-04 405 491 0.56D-01

KE1200 I 17 RPM2*^ 0.17973910D 02 -0.63745665D 04 -0.17194104D-02

KE1200 0.12669434D-05 369 521 0.85D-02

KE1500 I 15 RPM2**** 0.44285 19 2D 02 -0.10504622D 05 -0.57468922D-01

KE1500 0. 3922435 lD-04 353 424 0.20D-03

KE1600 I 16 RPM2  0.16332197D 02 -0.54509453D 04 -0.94791231D-04

KE1600 0.79497020D-07 369 521 0.66D-03

KE1620 H 21 RPM2** ** -0.73204088D 02 0.90466559D 04 0.18287068D 00

KE1620 -0.12508377D-03 451 500 0.33D 00

KE1700 I 16 RPM2  0.17009724D 02 -0.62063641D 04 -0.10441452D-03

KE1700 0.87991144D-07 369 521 0.32D-03

KE1720 I 20 RPM2** ** 0.99367506D 02 -0.19759721D 05 -0.17211686D 00

KE1720 0.11966357D-03 375 535 0.44D-02

KE1800 K 2 RPM2  0. 156305 lOD 02 -0.58530705D 04 O.OOOOOOOOD 00

KE1800 O.OOOOOOOOD 00 395 403

KE1820 J 11 RPM2** ** 0.25265859D 02 -0.47381032D 04 -0.49092128D-01

KE1820 0.47445496D-04 292 417 0.26D-01

KE1821 J 8 RPM2  -0. 834249 14D 02 0.52538877D 04 0.31324636D 00

KE1821 -0.33243093D-03 294 368 0.30D-01

KE1900 J 5 RPM2** ** -0.99897398D 02 0.12670804D 05 0.23088809D 00

KE1900 -0.14890088D-03 323 418 0.13D-01

KE1901 J 8 RPM2  0.66819317D 04 -0.92881114D 06 -0.16059749D 02

KE1901 0.12896429D-01 388 431 0.26D-01

KE2100 F 35 RPM2** ** 0.39808738D 02 -0.10382444D 05 -0.40885275D-01

KE2100 0.23468422D-04 298 539 0.36D-01

KE2104 C 32 VAPRES-2 0.38789128D 03 -0.19284923D 05 0.10027672D 00

KE2104 -0.29008985D-04 -0.62369530D 02 298 532 0.12D-01

KE2120 I 7 RPM2  -0.43389210D 02 0.30307622D 04 0.12861987D 00

KE2120 -0.92236652D-04 449 501 O.lOD-01

KE2225 I 23 VAPRES-2 -0.30334436D 03 -0.12188523D 03 -0.14965503D 00

KE2225 0.56469159D-04 0.59179741D 02 408 564 0.18D-01

69
Table 11. Range 3 vapor pressure correlations —Continued

KE2261 K 2 RPM2** ** 0.19418350D 02 -0.84826264D 04

KE2261 O.OOOOOOOOD 00

KE2300 F 19 VAPRES-2 -0.62855974D 03 0.57720465D 04

KE2300 0.12610738D-03 0.12024952D 03

KE2330 J 10 RPM2  0.44650283D 02 -0.11158370D 05

KE2330 0.40726555D-04

KE2331 J 10 RPM2** ** -0.19575553D 04 0.1963148 ID 06

KE2331 -0.68379550D-02

KE2365 G 45 VAPRES-2 -0.73382832D 03 0.11307120D 05

KE2365 0.10027145D-03 0.13451238D 03

KE2460 J 26 RIEDEL** 0.36652016D 03 -0.48575010D 02

KE2460 0.28048558D-16

KE2473 J 7 RPM2  -0.22362756D 01 -0.64738203D 04

KE2473 -0.30566467D-04

KE2474 J 22 RPM2** **^ 0.18832730D 03 -0.38592193D 05

KE2474 0.26967276D-03

KE2477 J 20 RPM2  -0.35975370D 00 -0.10541719D 05

KE2477 -0. 6826435 lD-04

KE2506 C 16 RPM2** ** 0.50594333D 02 -0.13634600D 05

KE2506 0.32071991D-04

KE2545 I 39 RIEDEL** 0.73424260D 02 -0.76018739D 01

KE2545 -0.21751014D-17

KE2775 J 9 RPM2  0.54175963D 03 -0.10033771D 06

KE2775 0.63820178D-03

KE3350 K 2 RPM2** ** 0.28106180D 02 -0.14368583D 05

KE3350 O.OOOOOOOOD 00

O.OOOOOOOOD 00

417 574

-0.31642310D 00

333 542 0.53D-01

-0.57059059D-01

286 524 O.lOD-01

0.6373645 ID 01

291 330 0.25D-03

-0.29425735D 00

329 622 0.30D 00

-0.32112042D 05

558 651 0.31D 00

0.43962829D-01

474 724 0.38D-01

-0.36089778D 00

410 496 O.lOD-02

0.76920902D-01

373 457 0.51D-03

-0.56890913D-01

437 601 0.5 ID 00

-0.12094587D 05

503 604 0.15D 00

-0.10049879D 01

456 549 0.12D-01

O.OOOOOOOOD 00

443 525
Table 12. Range 4 vapor pressure correlations

KE0300 A 63 WAGNER** -0.74271578D

KE0300 -0.65774782D 01 0.50809985D

KE0370 I 13 RIEDEL** 0.51987333D

KE0370 0.59499181D-16

KE0380 G 29 WAGNER** -0.77804023D

KE0380 0.36491593D 01 0.35724463D

KE0400 A 49 WAGNER** -0.77821606D

KE0400 0.51033664D 01 0.53677979D

KE0420 H 5 RPM2  -0.41338309D

KE0420 -0. 14601 138D-03

KE0500 E 30 WAGNER**  -0.72551714D

KE0500 -0.12997027D 02 0.56107983D

KE0501 E 31 WAGNER** -0.74645307D

KE0501 0. 29279 142D 02 0.56145996D

KE0505 E 25 WAGNER** -0.7701686 ID

KE0505 0.32055908D 02 0.55339990D

KE0510 H 6 RIEDEL** 0.33460813D

KE0510 0.26929717D-14

KE0520 I 17 VAPRES-2 0.37597781D

KE0520 -0. 485000 18D-04 -0.63633082D

KE0600 C 13 WAGNER** -0.82250937D

KE0600 -0.41166467D 00 0.58700000D

KE0601 C 14 WAGNER** -0.77461734D

KE0601 -0.56463010D 01 0.58281982D

KE0604 I 19 WAGNER** -0.77857409D

KE0604 -0.12915196D 03 0.57100000D

KE0607 C 16 WAGNER** -0.76862355D

KE0607 -0.30089991D 01 0.56700000D

KE0620 J 18 WAGNER** -0.77777529D

KE0620 -0.30293267D 02 0.62900000D

KE0640 I 13 RPM2  0.12562638D

KE0640 -0.10948396D-04

KE0700 C 11 WAGNER**  -0.11049744D

KE0700 0.25715023D 02 0.61150000D

KE0710 I 7 RPM2**** 0.16781712D

KE0710 -0.11291159D-06

KE0720 H 7 RIEDEL** 0.16486399D

KE0720 0.11864683D-18

KE0740 I 7 RPM2  0.43399170D

KE0740 "0.25314379D-04

KE0950 G 5 RPM2** ** 0.11470231D

KE0950 -0.11936343D-04

KE1003 C 11 WAGNER** -0.84860074D

KE1003 -0.13687968D 02 0.64000000D

KE1020 I 4 RPM2  0.2927022 ID

KE1020 0.14337444D-04

KE1200 I 5 RPM2** ** 0.17958869D

KE1200 0.10486322D-05

KE1600 I 8 RPM2  0.16259752D

KE1600 -0.28264046D-07

KE1620 H 12 RPM2** ** 0.67655826D

KE1620 0.94992874D-03

01 0.10922862D 01 -0.19873034D 01

03 0.46999960D 01 309 509 0.12D 01

02 -0.54992005D 01 -0.46055390D 04

273 411 0.76D 00

01 0.17061565D 01 -0.55119078D 01

03 0.28411484D 01 225 358 0.31D 01

01 0.19660930D 01 -0.45547369D 01

03 0.42069960D 01 333 537 0.29D 01

02 0.26826805D 04 0.15847068D 00

356 381 0.71D-02

01 0.25769821D 00 -0.10269338D 01

03 0.36939983D 01 355 545 0.26D 01

01 0.15101506D 01 -0.70957752D 01

03 0.37289982D 01 355 545 0.40D 01

01 0.20979165D 01 -0.74639778D 01

03 0.38499985D 01 350 550 0.19D 01

04 -0.48757859D 03 -0.17259015D 06

393 412 0.30D-01

03

02

-0.14596625D 05 0.13510762D 00

388 539 0.16D 01

01 0.2124239 ID 01 -0.47585480D 01

03 0.33229990D 01 385 428 0.32D-02

01 0.11668065D 01 -0.32275202D 01

03 0.33199987D 01 379 407 0.20D-02

01 0.11556420D 01 0.14013432D 01

03 0.32699986D 01 388 567 0.16D 01

01 0.16766059D 01 -0.36938294D 01

03 0.34699984D 01 362 406 0.87D-02

01 -0.64181523D 00 0.44407638D 01

03 0.38499985D 01 413 582 0.59D 01

02 -0. 42869 180D 04 0.11158413D-01

401 561 0.15D 01

02 0.76039453D 01 -0. 12885 185D 02

03 0.34359989D 01 407 453 0.12D-01

02 -0.49615208D 04 0.14711739D-03

390 451 0.71D-03

02 -0.20851789D-•01 -0.46599068D 04

380 441 0.40D-03

01 -0.36523985D 04 0.29850045D-01

433 465 0.14D-01

02 -0. 505565 12D 04 0.13641999D-01

458 476 O.OOD 00

01 0.13629362D 01 -0.40025845D 01

03 0.23199987D 01 443 486 0.41D-02

02 -0.73333600D 04 -0.24539657D-01

423 454 0.59D-03

02 -0.63834928D 04 -0.15442724D-02

480 521 0.21D-03

02 -0.54395626D 04 0.58457462D-04

450 521 O.llD-02

03 -0.11139630D 06 -0.13723823D 01

464 500 0.35D 00

71
Table 12. Range 4 vapor pressure correlations—Continued

KE1700 I 4 RPM2**** 0.18340928D 02 -0.642880410 04 -0.275876070-02

KE1700 0.18513966D-05 490 521 0.150-03

KE2100 C 10 RPM2*^ 0.57404325D 02 -0.134877630 05 -0.740659490-01

KE2100 0.44291422D-04 493 539 0.220-01

KE2104 C 11 RPM2**** 0.33956207D 02 -0.929168710 04 -0.295654400-01

KE2104 0.16060508D-04 481 532 0.140-01

KE2225 I 6 RPM2  0.120368580 02 -0.581992900 04 0.102846430-01

KE2225 -0.82201750D-05 520 564 0.240-01

KE2365 G 26 VAPRES-2 0.16527152D 05 -0.576175840 06 0.456843490 01

KE2365 -0.12489337D-02 -0.27909133D 04 560 622 0.190 00

KE2460 J 7 RIEDEL**  0.17529189D 05 -0.240293970 04 -0.131707640 07

KE2460 0.86815023D-15 630 651 0.180 00

KE2506 C 6 RPM2**** 0.427466610 03 -0.840659180 05 -0.728054200 00

KE2506 0.42989476D-03 562 601 0.170 00

72
5.2.1. Quality Ratings for Correlations

The quality rating symbols are defined in Table 13. Note that ratings A

through F all involve experimental data from a "reliable source". A reliable

source is one which has reported high-quality data for a large number of

compounds and those data consistently agree with other good data. Only one

source met these criteria for the ketone vapor pressure data—the National

Physical Laboratory, Teddington, Middlesex, U. K. Very good vapor pressure

data have been reported for the ketones by Collerson et al. [4418], Ambrose

et al. [10253], and Ambrose et al. [10318] and, whenever a data set from one

of those papers is involved, one of the A through F ratings will appear. For

ratings A through C, the data from the reliable source cover the entire correlation range and the amount of corroboration from other sources ranges from

substantial for A through partial for B to none for C. For ratings D through

F, the reliable source data set covers only part of the correlation range and

the three ratings differ only in the amount of corroborating data.

Ratings G through K do not involve a reliable source data set. A G

rating tells the user that at least two data sets from different sources showed

considerable agreement, whereas an H rating says that all the sources showed

substantial disagreement. Both the G and H ratings indicate a better situation than the I and J ratings which indicate that only one source of data was

available in any given temperature range.

73
Table 13. Definition of quality rating aymbole

for the individual property correlations

Rating Definition

A Correlation is based on extensive experimental data from

a reliable source, and those data are substantiated by

measurements from other sources over all or most of the

range

B Correlation is based on extensive experimental data from

a reliable source, but those data are substantiated by

measurements from other sources over only part of the

range

C Correlation is based on extensive experimental data from

a reliable source, but the correlation is not corroborated

by other measurements in any major part of the range.

D Correlation is based on extensive experimental data from

a reliable source over a major part of the range and on

a less reliable data set in the other part. Data from

other sources support the general validity of the

correlation in both parts of the range.

E Correlation is based on extensive experimental data from

a reliable source over a major part of the range and on

a less reliable data set in the other part. Data from

other sources corroborate the data from the reliable source but supporting data are not available for the less reliable

data set.

F Correlation is based on extensive experimental data from

a reliable source over a major part of the range and on

a less reliable data set in the other part. Neither part

of the correlation is corroborated by measurements from

other sources.

G Correlation is based on data from two or more overlapping

sources which through their mutual agreement support the

validity of the correlation through an important part of

its range

H Correlation is based on a group of points from a single source or from multiple sources which has been selected

from among various disagreeing data sets or scattered

data points from several sources.

74
Table 13. Definition of quality rating symbols

for the individual property correlations —Continued

I Correlation is based on relatively smooth multiple data

points from one source, or from two or more sources which do not overlap much, and there is little or no data available from other sources

.

J Correlation is based on scattered data points from

one or two sources.

K Correlation is just a straight line fit of only two or more data points from one or more sources.

75
The K rating indicates the correlation is just a straight-line fit of

two or three data points. The only justification for including such

correlations is the desire to provide the user with as much information as

possible. Two elementary precautions were taken. First, the points fitted

were usually required to be from the same source; points from different sources

were used only if there were other corroborating measurements which supported

the general accuracy of the two or three points fitted to the straight line.

Second, the slope of the linear fit was checked to make sure it had the right

sign and a reasonable numerical value. The possible pitfalls in the use of

such a correlation are obvious and users are warned to be cautious in their

use of property values obtained from such correlations.

In general, the quality of the experimental data base decreases as one

goes from A to K in Table 13, but there can be exceptions to that rule. For

example, for the D through F quality ratings, only part of the correlation is

supported by a reliable source data set and it is possible for the other part

to be less accurate than another correlation given a G rating. Another

example concerns the I rating which presumably is superior to the J rating

because the I data points are smooth whereas the J data are scattered. However, the I data may be smooth because it was reported only in equation form;

it may be that the original raw data which the reporting authors smoothed

were more scattered than other data sets which were given a J rating.

76
It is not possible to characterize precisely all the experimental

circumstances which can arise with a limited number of single-character

quality rating symbols, and the user may feel that the definition of the

assigned rating may be imprecise in some instances. That is inevitable with

only eleven symbols, but the addition of more soon becomes self-defeating.

Also, the user must remember that the assigned symbol describes the total

experimental data base originally available before the deletions began, and

not just the final selected points which were actually correlated.

5.2.2. Vapor Pressure Correlations

Following the quality rating symbol in the first line for each compound

in tables 9, 10, 11 and 12 is another item related to the quality of the

correlation data base—the number of selected experimental points fitted. In

general, the larger the number of points the better.

77
The equation used for each compound-range combination is indicated by

an eight character identifier. The identifier which appears in the first

line for each compound is easily related to the corresponding vapor pressure

equation in table 2. The other three items following the identifier in the

first line are the first three constants (A, B, C) in the correlation

equation. The D constant and the E constant (Vapres-2 equation only) appear

on the second line. Only the Wagner equation has six constants —the T and

c values used in the correlation are listed after the A,B,C,D constants.

The T^ and units are kelvin and megapascals, and in this report the values

listed in tables 9 through 12 will always be the same as those listed in

table 7. As a matter of policy, any compound constant values which are used

in any correlation are always stored in the data bank with the correlation

constants —in addition to storage in the compound constants section—so that

the correlation can continue to be used even if the compound constant values

stored in the compound constant section are changed.

The last three items at the end of the second line are the lower

temperature limit, the higher temperature limit, and the root-mean-squareddeviation (rmsd) value for the fit. The lower temperature limit is the

temperature of the lowest-temperature selected data point covered by the correlation rounded down to the next integer value. The higher limit is the

temperature of the highest- temperature point rounded up to the next whole

number. The actual range of any specific correlation is given by these lower

and upper temperature limits and not by the nominal limits for that particular temperature range defined in section 4.2.3.

78
The rmsd value is in kilopascals and will range from a relatively low

number for the range 2 fit to a higher number for the range 4 fit, the difference being due to the different magnitudes of the data points being fitted.

The large variation in the magnitude of the vapor pressure data values with

temperature makes it difficult to determine the significance of a given rmsd

value. One should compare rmsd values only between fits for the same temperature range but even then the comparison may be meaningless. For example, the

rmsd value for a range 4 fit where the selected data points cover the entire

nominal temperature range from (T, - 20) to T will be very different from

D c the rmsd for another range 4 fit where the data points are limited to the range

from (T^ - 20) to T^. In any case, the rmsd is an indicator primarily of the

amount of scatter in the data points fitted. If the data points being fitted

are the raw (unsmoothed) data points measured by the authors, a low rmsd value

can be considered to be an indicator of quality. However, a very low rmsd

may not be significant—it may mean that the only available experimental data

were reported in equation form and hence smoothed values had to be correlated.

In a superficial judging of the quality of a correlation, the user should

rely primarily on the quality rating symbol as defined in table 13. The

number of points available for fitting should be considered second and the

rmsd value third.

79
5.3. Liquid Density

Tables 14, 15, 16 and 17 contain the constants for the liquid density

correlations for ranges 1, 2, 3 and 4. The organization of the tables is the

same as for the vapor pressure tables (tables 9, 10, 11 and 12), with two lines

per correlation. The compound identification begins both lines. The quality

rating (second item on the first line) has the same significance as for the

vapor pressure and is defined by Table 13. The number of experimental points

actually fitted by the correlation follows the quality rating.

The equation identifier (fourth item in the first line for each compound)

is related to the equations in table 3. The low-range Francis equation

(identifier is FRANCISl) has four constants. A, B, C and E; the fourth constant

is E rather than D in order to avoid confusion with the symbol for the density.

The T^ value (if one is available) is also stored with the low range equation.

The T^ is used only in defining the fitting ranges but the (T^ - 10) value

used for the upper limit of the range 1 and range 4 fits with program FRANCISl

can change enough with the T^ value to include or exclude a data point in a

region where data points are sparse and thus have a relatively strong influence

on the fitting process.

The high range Francis equation (identifier is FRANCIS2) sometimes used

for range 4 has two adjustable constants A and B followed by the d^ and T^

values. The latter two appear in the equation and are listed here so that an

old correlation will still be useable even if the values of V and T stored

c c in the compound constants part of the data bank are changed.

80
Table 14. Range 1 liquid density correlations

KE0300 D 58 FRANCISl 0.11210213D 01 0.10215563D-02 0.79379501D 01

KE0300 0.53905884D 03 0.50809985D 03 178 498 0.95D-03

KE0340 K 3 FRANCISl 0.13919132D 01 0.10882850D-02 O.OOOOOOOOD 00

KE0340 O.OOOOOOOOD 00 277 299

KE0380 H 12 FRANCISl 0.23480034D 01 0.25871226D-02 0.31269958D 02

KE0380 0. 422129 15D 03 0.35713477D 03 210 295 0.14D-02

KE0400 G 47 FRANCISl 0.11104259D 01 0.81403158D-03 0.19753296D 02

KE0400 0.58889380D 03 0.53677979D 03 195 324 0.17D-03

KE0420 I 13 FRANCISl 0.12236357D 01 0.87728817D-03 0.74975948D 01

KE0420 0.52308423D 03 273 363 0.51D-03

KE0430 I 9 FRANCISl 0. 14537 134D 01 0.10908672D-02 0.14505398D 02

KE0430 0.65764941D 03 282 303 0.14D-03

KE0500 H 9 FRANCISl 0.1093625 ID 01 0.96370699D-03 0.48774409D 00

KEOSOO 0.42092505D 03 0.56107983D 03 233 354 O.llD-03

KE0501 H 19 FRANCISl 0.10943232D 01 0.86304802D-03 0.70360441D 01

KE0501 0. 5534025 9D 03 0.56145996D 03 273 348 0.66D-04

KE0505 K 3 FRANCISl 0.10588190D 01 0.84827400D-03 O.OOOOOOOOD 00

KE0505 O.OOOOOOOOD 00 283 324

KE0510 H 27 FRANCISl 0.12644968D 01 0.89787156D-03 0. 809345 44D 01

KE0510 0.61981030D 03 277 374 0.20D-03

KE0520 H 15 FRANCISl 0.12307463D 01 0.95416536D-03 0.36097822D 01

KE0520 0.17891855D 04 273 364 0.12D-03

KE0530 I 4 FRANCISl 0.11695671D 01 0. 90240 128D-03 0.82282317D 00

KE0530 0.43741748D 03 293 . 361 0.59D-04

KE0540 K 3 FRANCISl 0.11309113D 01 0.95017100D-03 O.OOOOOOOOD 00

KE0540 O.OOOOOOOOD 00 293 299

KE0563 K 2 FRANCISl 0.12291625D 01 0.82216200D-03 O.OOOOOOOOD 00

KE0563 O.OOOOOOOOD 00 293 299

KE0568 K 2 FRANCISl 0.14145337D 01 0.11002640D-02 O.OOOOOOOOD 00

KE0568 O.OOOOOOOOD 00 293 299

KE0600 H 7 FRANCISl 0.10629501D 01 0.76617324D-03 0.67085629D 01

KE0600 0.54074902D 03 0.58700000D 03 283 334 0.18D-03

KE0601 I 4 FRANCISl 0.10622683D 01 0.75031724D-03 0.48805723D 01

KE0601 0.47581445D 03 0.58281982D 03 297 324 0.14D-04

KE0604 H 18 FRANCISl 0.10666428D 01 0.82335575D-03 0.69826603D 01

KE0604 0.57530029D 03 0.57100000D 03 273 374 O.llD-03

KE0607 I 13 FRANCISl 0.10912037D 01 0.94584492D-03 0.63908215D 01

KE0607 0.12265347D 04 0.56700000D 03 293 354 0.29D-04

KE0610 K 2 FRANCISl 0.11699327D 01 0.67871500D-03 O.OOOOOOOOD 00

KE0610 O.OOOOOOOOD 00 293 299

KE0615 J 21 FRANCISl 0.12592354D 01 0.73114224D-03 0.24115524D 02

KE0615 0.65499878D 03 277 374 0.51D-03

KE0620 H 15 FRANCISl 0.12110815D 01 0.84087066D-03 0.62623587D 01

KE0620 0. 6404025 9D 03 0.62900000D 03 273 354 0.49D-04

KE0625 K 3 FRANCISl 0.11754525D 01 0.89549800D-03 O.OOOOOOOOD 00

KE0625 O.OOOOOOOOD 00 293 361

KE0650 I 6 FRANCISl 0.11541748D 01 0.92861406D-03 0.12769001D 02

KE0650 0.83510986D 03 293 394 0.43D-04

KE0660 I 4 FRANCISl 0.15105515D 01 0.97980653D-03 0.19811020D 02

KE0660 0.90835181D 03 395 434 0.17D-03

KE0670 I 6 FRANCISl 0.12066355D 01 0.88522420D-03 0.25476007D 01

KE0670 0.59638232D 03 293 394 0.18D-03

81
Table 14. Range 1 liquid density correlations —Continued

KE0700 G 16 FRANCISl 0.10823164D 01 0.68128319D-03

KE0700 0.71180640D 03 0.61150000D 03

KE0701

KE0701

I 7 FRANCISl

0.51027295D 03

0.10566082D 01 0.76659396D-03

KE0702

KE0702

H 10 FRANCISl

0.59130103D 03

0.10744505D 01 0.73973392D-03

KE0720

KE0720

G 24 FRANCISl

0.59359106D 03

0.10650043D 01 0.79409732D-03

KE0725

KE0725

I 20 FRANCISl

0.63199292D 03

0.12179537D 01 0.80069271D-03

KE0730

KE0730

I 18 FRANCISl

0.60423389D 03

0.12222862D 01 0.81374589D-03

KE0735

KE0735

I 13 FRANCISl

0. 1046335 7D 04

0.13543797D 01 0.89812255D-03

KE0740

KE0740

I 7 FRANCISl

0.65876953D 03

0.11986494D 01 0.81006484D-03

KE0745

JCE0745

J 7 FRANCISl

0.66066748D 03

0.11601934D 01 0.70832646D-03

KE0746

KE0746

J 6 FRANCISl

0.44958086D 04

0.11473150D 01 0.77219424D-03

KE0747

KE0747

G 8 FRANCISl

0.37699731D 03

0.11351528D 01 0.70543634D-03

KE0760

KE0760

I 5 FRANCISl

0.61806470D 03

0.13968458D 01 0.88775204D-03

KE0800

KE0800

H 17 FRANCISl

0. 649065 19D 03

0.10774565D 01 0.79408265D-03

KE0801

KE0801

I 6 FRANCISl

0.37720679D 03

0.10447025D 01 0.75790938D-03

KE0802

KE0802

K 3 FRANCISl

O.OOOOOOOOD 00

. 0.10581158D 01 0.81718800D-03

KE0850

KE0850

K 2 FRANCISl

O.OOOOOOOOD 00

0.10557714D 01 0.85020700D-03

KE0890

KE0890

I 8 FRANCISl

0.55955298D 03

0.11752396D 01 0. 74465 154D-03

KE0910

KE0910

K 3 FRANCISl

O.OOOOOOOOD 00

0.11457132D 01 0.83233000D-03

KE0930

KE0930

I 20 FRANCISl

0.51158325D 03

0.12116728D 01 0.71956799D-03

KE0950

KE0950

H 17 FRANCISl

0.74487476D 03

0.12849731D 01 0.82102115D-03

KE0980

KE0980

K 2 FRANCISl

O.OOOOOOOOD 00

0.14689927D 01 0.94420500D-03

KEIOOO

KEIOOO

H 16 FRANCISl

0.71997681D 03

0.10667076D 01 0.69098081D-03

KElOOl

KElOOl

J 4 FRANCISl

0.30584688D 04

0.10525827D 01 0.76424866D-03

KE1002

KE1002

K 3 FRANCISl

O.OOOOOOOOD 00

0.10635706D 01 0.82080900D-03

KE1003 H 8 FRANCISl 0.10534096D 01 0.79098716D-03

KE1003 0.88935620D 03 0.64000000D 03

KE1020

KE1020

I 6 FRANCISl

0.60697998D 03

0.10386066D 01 0.75689703D-03

0.28077332D 02

288 429 O.lOD-03

0.29826403D 01

288 360 0.14D-03

0.12342205D 02

253 394 0.41D-03

0.79816027D 01

283 374 0.39D-03

0.10817964D 02

288 374 0.18D-03

0.84028273D 01

277 374 O.lOD-03

0.94656706D 01

313 374 0.31D-03

0.38449039D 01

297 374 0.75D-04

0.10340004D 02

292 357 0.14D-02

0.26848648D 02

291 361 0.78D-03

0.90721703D 00

291 360 0.37D-02

0.16219463D 01

348 401 0.42D-03

0.89678802D 01

253 434 0.26D-03

0.56298885D-01

293 360 0.13D-03

O.OOOOOOOOD 00

297 324

O.OOOOOOOOD 00

293 299

0.23469505D 01

329 412 0.72D-04

O.OOOOOOOOD 00

273 294

0.64043417D 01

277 374 0.13D-03

0.73394318D 01

293 475 0.84D-04

O.OOOOOOOOD 00

293 299

0.18308731D 02

298 439 0.74D-04

0.19214630D 02

293 359 0.25D-02

O.OOOOOOOOD 00

297 324

0.49999952D-02

283 360 0.49D-03

0.34747953D 01

293 359 0.22D-03

82
Table 14. Range 1 liquid density correlations —Continued

KE1040

KE1040

K 2 FRANCISl

O.OOOOOOOOD 00

0.10481059D 01 0.76418900D-03 O.OOOOOOOOD 00

293 299

KE1150

KE1150

I 4 FRANCISl

0.49241553D 03

0.11017246D 01 0.64413319D-03 0.50127020D 01

303 363 0.56D-05

KE1180

KE1180

I 4 FRANCISl

0.43193555D 03

0.12283163D 01 0.72272122D-03 0.87706625D 00

293 359 O.lOD-03

KE1181

KE1181

I 7 FRANCISl

0.51115088D 03

0.12354736D 01 0.75112213D-03 0.29371872D 01

293 359 0.28D-03

KE1250

KE1250

I 9 FRANCISl

0,10811353D 04

0.13698235D 01 0.83868415D-03 0. 96535 120D 01

313 354 0.22D-03

KE1320

KE1320

K 2 FRANCISl

O.OOOOOOOOD 00

0.11775263D 01 0.82878800D-03 O.OOOOOOOOD 00

289 294

KE1350

KE1350

K 3 FRANCISl

O.OOOOOOOOD 00

0.19414714D 01 0.12592340D-02 O.OOOOOOOOD 00

306 347

KE1360

KE1360

K 3 FRANCISl

O.OOOOOOOOD 00

0.1452377 ID 01 0.95708700D-03 O.OOOOOOOOD 00

292 362

KE1400

KE1400

K 3 FRANCISl

O.OOOOOOOOD 00

0.10606149D 01 0.80690800D-03 O.OOOOOOOOD 00

288 304

KE1401

KE1401

I 4 FRANCISl

0.52146802D 03

0.10355082D 01 0.68153860D-03 0.24201708D 01

293 359 0.71D-04

KE1403

KE1403

K 3 FRANCISl

O.OOOOOOOOD 00

0.10556330D 01 0.78969400D-03 O.OOOOOOOOD 00

297 324

KE1530

KE1530

I 7 FRANCISl

0.58048584D 03

0.11216106D 01 0.75179804D-03 0.11565094D 01

273 374 0.47D-04

KE1550

KE1550

I 5 FRANCISl

0.11632017D 04

0.11585274D 01 0. 8841229 lD-03 0.99014626D 01

287 294 0.14D-04

KE1580

KE1580

J 6 FRANCISl

0. 73905 195D 04

0.11929045D 01 0.71501243D-03 0.31916519D 02

291 359 0.76D-03

KE1620

KE1620

K 3 FRANCISl

O.OOOOOOOOD 00

0.12227294D 01 0.85964500D-03 O.OOOOOOOOD 00

453 474

KE1640

KE1640

K 3 FRANCISl

O.OOOOOOOOD 00

0.11054682D 01 0.64550500D-03 O.OOOOOOOOD 00

286 294

KE1660

KE1660

K 2 FRANCISl

O.OOOOOOOOD 00

0.12286730D 01 0.10305550D-02 O.OOOOOOOOD 00

289 294

KE1680

KE1680

K 2 FRANCISl

O.OOOOOOOOD 00

0.12271983D 01 0.10002810D-02 O.OOOOOOOOD 00

288 294

KE1750

KE1750

I 7 FRANCISl

0.44262402D 03

0.11910629D 01 0.65790350D-03 0.14866219D 01

291 360 0.26D-03

KE1760

KE1760

I 4 FRANCISl

0.37699731D 03

0.12143669D 01 0.77111414D-03 0.56137331D-01

293 360 0.21D-04

KE1762

KE1762

I 4 FRANCISl

0.39578760D 03

0.11962500D 01 0. 706846 13D-03 0.24943739D 00

298 361 0.45D-06

KE1860

KE1860

I 8 FRANCISl

0.49347217D 03

0.13859816D 01 0.94468961D-03 0.49999952D-02

333 374 0.92D-03

KE2000

KE2000

I 4 FRANCISl

0.85100244D 03

0.1635329 2D 01 0.10515784D-02 0.53056593D 01

296 354 0.18D-03

KE2100

KE2100

G 28 FRANCISl

0.76776074D 03

0.10617561D 01 0.66399807D-03 0.19551086D 02

293 434 0.88D-04

KE2104

KE2104

I 5 FRANCISl

0.50070825D 03

0.10162287D 01 0.57980116D-03 0.45092754D 01

293 360 0.12D-03

KE2120 I 9 FRANCISl 0.11690245D 01 0. 7276060 lD-03 0.35297394D 01

KE2120 0.16314060D 04

83

301 412 O.llD-03
Table 14. Range 1 liquid density correlations —Continued

KE2130 I 4 FRANCISl 0. 12822104D

KE2130 0.38810552D 04

KE2150 I 9 FRANCISl 0. 12204685D

KE2150 0.12922126D 04

KE2155 I 4 FRANCISl 0. 12095985D

KE2155 0.24433069D 04

KE2170 K 2 FRANCISl 0. 12807347D

KE2170 O.OOOOOOOOD 00

KE2190 K 3 FRANCISl 0. 16299756D

KE2190 O.OOOOOOOOD 00

KE222S I 6 FRANCISl 0. 11714888D

KE2225 0.22372144D 04

KE223S X 3 FRANCISl 0.11643365D

KE2235 O.OOOOOOOOD 00

KE2250 I 8 FRANCISl 0. 11945877D

KE2250 0.65498828D 04

KE2260 I 4 FRANCISl 0.13363056D

KE2260 0.45346445D 04

KE2300 I 14 FRANCISl 0.10458326D

KE2300 0.67093164D 03

KE2350 I 4 FRANCISl 0. 11599350D

KE2350 0.4993706 ID 03

KE2365 H 16 FRANCISl 0.13401823D

KE2365 0.69762964D 03

KE2380 I 4 FRANCISl 0. 13082275D

KE2380 0.38099902D 03

KE2430 I 7 FRANCISl 0. 14260750D

KE2430 0.16007200D 04

KE2445 I 4 FRANCISl 0. 12868528D

KE2445 0.17073696D 04

KE2460 X 2 FRANCISl 0. 15605904D

KE2460 O.OOOOOOOOD 00

KE2506 X 3 FRANCISl 0. 10552623D

KE2S06 O.OOOOOOOOD 00

KE2540 I 8 FRANCISl 0.11673403D

KE2540 0.99052905D 03

KE2565 I 4 FRANCISl 0. 12601871D

KE2565 0.12629890D 04

KE2630 I 4 FRANCISl 0. 13531923D

KE2630 0.17556663D 04

KE2645 I 4 FRANCISl 0. 12418633D

KE2645 0.80786211D 04

KE2680 J 4 FRANCISl 0. 15772915D

KE2680 0.31303765D 04

KE2685 I 4 FRANCISl 0. 17867718D

KE2685 0.15690449D 04

KE2688 I 4 FRANCISl 0. 15926456D

KE2688 0.44107930D 04

KE2707 X 2 FRANCISl 0. 10381524D

KE2707 O.OOOOOOOOD 00

KE2745 X 3 FRANCISl 0. 13130190D

KE2745 O.OOOOOOOOD 00

84

01 0.88562258D-03 0.85805788D 01

289 352 0.20D-03

01 0.79455716D-03 0.14701186D 02

292 355 O.llD-03

01 0.79942029D-03 0.79448156D 01

293 360 0.24D-03

01 0.86907800D-03 O.OOOOOOOOD 00

287 294

01 0.10330470D-02 O.OOOOOOOOD 00

362 407

01 0.66504418D-03 0.63866241D 02

343 416 0.17D-03

01 0.87794400D-03 O.OOOOOOOOD 00

288 294

01 0.78531238D-03 0.15419426D 02

299 354 0.13D-03

01 0.72387094D-03 0.21761551D 02

293 359 0.26D-03

01 0. 6968046 lD-03 0.47666807D 01

303 434 0.28D-04

01 0.66308654D-03 0.26666517D 01

294 354 0.12D-03

01 0.75588422D-03 0.4505535 ID 01

328 524 0.21D-03

01 0.72633754D-03 0.51078349D-02

293 359 0.23D-04

01 0.73180185D-03 0.32127676D 01

403 461 0.72D-03

01 0.70454692D-03 0.12738742D 02

293 359 0.38D-03

01 0.87257900D-03 O.OOOOOOOOD 00

565 576

01 0.76081000D-03 O.OOOOOOOOD 00

312 354

01 0.70211850D-03 0.19182373D 02

293 354 O.lOD-03

01 0.69377758D-03 0.52163324D 01

293 359 O.llD-03

01 0.77704038D-03 0.37081345D 02

348 407 0.29D-03

01 0.70035667D-03 0.49999952D-02

293 359 0.23D-03

01 0.82694599D-03 0.15674782D 03

367 427 0.41D-02

01 0.96267578D-03 0.19923569D 02

346 409 0.82D-03

01 0.86395908D-03 0.50203278D 02

367 423 0.84D-03

01 0.69986300D-03 O.OOOOOOOOD 00

333 354

01 0.71617300D-03 O.OOOOOOOOD 00

391 445
Table 14. Range 1 liquid density correlations—Continued

KE2755 I 4 FRANCISl 0.12268534D 01 0.67655882D-03 0.18401814D 01

KE2755 0.69340601D 03 293 359 0.49D-04

KE2835 I 5 FRANCISl 0.11383848D 01 0.66913106D-03 0. 49246 109D 02

KE2835 0.24330369D 04 319 357 0.15D-03

KE2845 I 4 FRANCISl 0.12137480D 01 0.67674927D-03 0.45696878D 01

KE2845 0.12091201D 04 293 359 0.89D-04

KE3050 I 5 FRANCISl 0.11290541D 01 0.66905282D-03 0.51053818D 02

KE3050 0.27560354D 04 328 355 0.14D-03

KE3310 K 2 FRANCISl 0.10338106D 01 0.67308100D-03 O.OOOOOOOOD 00

KE3310 O.OOOOOOOOD 00 343 365

KE3350 I 5 FRANCISl 0.11021729D 01 0.68568555D-03 0.27912140D 00

KE3350 0.60188306D 03 353 574 0.63D-03

KE3712 K 2 FRANCISl 0.10227895D 01 0.63346800D-03 O.OOOOOOOOD 00

KE3712 O.OOOOOOOOD 00 353 365

KE4114 J 5 FRANCISl 0.10310059D 01 0.64559188D-03 0.19765949D 00

KE4114 0.75869238D 03 363 574 0.13D-02

KE4516 K 2 FRANCISl 0.10552416D 01 0.71184300D-03 O.OOOOOOOOD 00

KE4516 O.OOOOOOOOD 00 361 369

85
KE0300

KE0300

KE0340

KE0340

KE0380

KE0380

KE0400

KE0400

KE0420

KE0420

KE0430

KE0430

KE0500

KEOSOO

KE0501

KEOSOl

KE0505

KE0505

KE0510

KE0510

KE0520

KE0520

KE0530

KE0530

KE0540

KE0540

KE0563

KE0563

KE0568

KE0568

KE0600

KE0600

KE0601

KE0601

KE0604

KE0604

KE0607

KE0607

KE0610

KE0610

KE0615

KE0615

KE0620

KE0620

KE0625

KE0625

KE0650

KE0650

KE0660

KE0660

KE0670

KE0670

Table 15. Range 2 liquid density correlations

A 34 FRANCISl

0.40312988D 03

K 3 FRANCISl

O.OOOOOOOOD 00

H 12 FRANCISl

0.42212915D 03

G 47 FRANCISl

0.58889380D 03

I 13 FRANCISl

0.52308423D 03

I 9 FRANCISl

0.65764941D 03

H 9 FRANCISl

0.42092505D 03

H 19 FRANCISl

0.55340259D 03

K 3 FRANCISl

O.OOOOOOOOD 00

H 27 FRANCISl

0.61981030D 03

H 15 FRANCISl

0.17891855D 04

I 4 FRANCISl

0.43741748D 03

K 3 FRANCISl

O.OOOOOOOOD 00

K 2 FRANCISl

O.OOOOOOOOD 00

K 2 FRANCISl

O.OOOOOOOOD 00

H 7 FRANCISl

0.54074902D 03

I 4 FRANCISl

0.47581445D 03

H 18 FRANCISl

0.57530029D 03

I 13 FRANCISl

0.12265347D 04

K 2 FRANCISl

O.OOOOOOOOD 00

J 21 FRANCISl

0.65499878D 03

H 15 FRANCISl

0.64040259D 03

K 3 FRANCISl

O.OOOOOOOOD 00

I 6 FRANCISl

0.83510986D 03

I 4 FRANCISl

0.90835181D 03

I 6 FRANCISl

0.59638232D 03

0.11081915D 01

0.50809985D 03

0.13919132D 01

0.23480034D 01

0.35713477D 03

0.11104259D 01

0.53677979D 03

0.12236357D 01

0.14537134D 01

0.1093625 ID 01

0.56107983D 03

0.10943232D 01

0.56145996D 03

0.10588190D 01

0.12644968D 01

0.12307463D 01

0.11695671D 01

0.11309113D 01

0.12291625t) 01

0.14145337D 01

0.10629501D 01

0.58700000D 03

0.10622683D 01

0.58281982D 03

0.10666428D 01

0.57100000D 03

0.10912037D 01

0.56700000D 03

0.11699327D 01

0.12592354D 01

0.12110815D 01

0.62900000D 03

0.11754525D 01

0.11541748D 01

0.15105515D 01

0.12066355D 01

0.10551438D-02

0.10882850D-02

0.25871226D-02

0.81403158D-03

0.87728817D-03

0.10908672D-02

0.96370699D-03

0.86304802D-03

0.84827400D-03

0.89787156D-03

0.95416536D-03

0.90240128D-03

0.95017100D-03

0.82216200D-03

0.11002640D-02

0.76617324D-03

0.75031724D-03

0.82335575D-03

0.94584492D-03

0.67871500D-03

0.73114224D-03

0.84087066D-03

0.89549800D-03

0.92861406D-03

0.97980653D-03

0.88522420D-03

0.96902567D 00

178 330 0.20D-03

O.OOOOOOOOD 00

277 299

0.31269958D 02

210 295 0.14D-02

0.19753296D 02

195 324 0.17D-03

0.74975948D 01

273 363 0.51D-03

0.14505398D 02

282 303 0.14D-03

0.48774409D 00

233 354 O.llD-03

0.70360441D 01

273 348 0.66D-04

O.OOOOOOOOD 00

283 324

0.809 345 44D 01

277 374 0.20D-03

0.36097822D 01

273 364 0.12D-03

0.82282317D 00

293 361 0.59D-04

O.OOOOOOOOD 00

293 299

O.OOOOOOOOD 00

293 299

O.OOOOOOOOD 00

293 299

0.67085629D 01

283 334 0.18D-03

0.48805723D 01

297 324 0.14D-04

0.69826603D 01

273 374 O.llD-03

0.63908215D 01

293 354 0.29D-04

O.OOOOOOOOD 00

293 299

0.24115524D 02

277 374 0.51D-03

0.62623587D 01

273 354 0.49D-04

O.OOOOOOOOD 00

293 361

0.12769001D 02

293 394 0.43D-04

0.19811020D 02

395 434 0.17D-03

0.25476007D 01

293 394 0.18D-03

86
Table 15. Range 2 liquid density correlations—Continued

KE1040

KE1040

K 2 FRANCISl

O.OOOOOOOOD 00

0.10481059D 01 0.76418900D-03

KE1150

KE1150

I 4 FRMCISl

0.49241553D 03

0.11017246D 01 0.64413319D-03

KE1180

KE1180

I 4 FRANCISl

0.43193555D 03

0.12283163D 01 0.72272122D-03

KE1181

KE1181

I 7 FRANCISl

0.51115088D 03

0.12354736D 01 0.75112213D-03

KE1250

KE1250

I 9 FRANCISl

0.10811353D 04

0.13698235D 01 0.83868415D-03

KE1320

KE1320

K 2 FRANCISl

O.OOOOOOOOD 00

0.11775263D 01 0.82878800D-03

KE1350

KE1350

K 3 FRANCISl

O.OOOOOOOOD 00

0.19414714D 01 0.12592340D-02

KE1360

KE1360

K 3 FRANCISl

O.OOOOOOOOD 00

0.14523771D 01 0.95708700D-03

KE1400

KE1400

K 3 FRANCISl

O.OOOOOOOOD 00

0.10606149D 01 0.80690800D-03

KE1401

KE1401

I 4 FRANCISl

0.52146802D 03

0.10355082D 01 0.68153860D-03

KE1403

KE1403

K 3 FRANCISl

O.OOOOOOOOD 00

0.10556330D 01 0.78969400D-03

KE1530

KE1530

I 7 FRANCISl

0.58048584D 03

0.11216106D 01 0.75179804D-03

KE1550

KE1550

I 5 FRANCISl

0.11632017D 04

0.11585274D 01 0. 8841229 lD-03

KE1580

KE1580

J 6 FRANCISl

0.73905195D 04

0.11929045D 01 0.71501243D-03

KE1620

KE1620

K 3 FRANCISl

O.OOOOOOOOD 00

0.12227294D 01 0.85964500D-03

KE1640

KE1640

K 3 FRANCISl

O.OOOOOOOOD 00

0.11054682D 01 0.64550500D-03

KE1660

KE1660

K 2 FRANCISl

O.OOOOOOOOD 00

0.12286730D 01 0.10305550D-02

KE1680

KE1680

K 2 FRANCISl

O.OOOOOOOOD 00

0.12271983D 01 0.10002810D-02

KE1750

KE1750

I 7 FRANCISl

0.44262402D 03

0.11910629D 01 0.65790350D-03

KE1760

KE1760

I 4 FRANCISl

0.37699731D 03

0.12143669D 01 0.77111414D-03

KE1762

KE1762

I 4 FRANCISl

0.39578760D 03

0.11962500D 01 0.70684613D-03

KE1860

KE1860

I 8 FRANCISl

0.49347217D 03

0.13859816D 01 0.94468961D-03

KE2000

KE2000

I 4 FRANCISl

0.85100244D 03

0.16353292D 01 0.10515784D-02

KE2100

KE2100

G 28 FRANCISl

0.76776074D 03

0.10617561D 01 0.66399807D-03

KE2104

KE2104

I 5 FRANCISl

0.50070825D 03

0.10162287D 01 0.57980116D-03

KE2120

KE2120

I 9 FRANCISl

0.16314060D 04

0.11690245D 01 0.72760601D-03

O.OOOOOOOOD 00

293 299

0.50127020D 01

303 363 0.56D-05

0.87706625D 00

293 359 O.lOD-03

0.29371872D 01

293 359 0.28D-03

0.96535120D 01

313 354 0.22D-03

O.OOOOOOOOD 00

289 294

O.OOOOOOOOD 00

306 347

O.OOOOOOOOD 00

292 362

O.OOOOOOOOD 00

288 304

0.24201708D 01

293 359 0.71D-04

O.OOOOOOOOD 00

297 324

0.11565094D 01

273 374 0.47D-04

0.99014626D 01

287 294 0.14D-04

0.31916519D 02

291 359 0.76D-03

O.OOOOOOOOD 00

453 474

O.OOOOOOOOD 00

286 294

O.OOOOOOOOD 00

289 294

O.OOOOOOOOD 00

288 294

0.14866219D 01

291 360 0.26D-03

0.56137331D-01

293 360 0.21D-04

0.24943739D 00

298 361 0.45D-06

0.49999952D-02

333 374 0.92D-03

0.53056593D 01

296 354 0.18D-03

0.19551086D 02

293 434 0.88D-04

0.45092754D 01

293 360 0.12D-03

0.35297394D 01

301 412 O.llD-03

88
Table 15. Range 2 liquid density correlations —Continued

KE0700 G 16 FRANCISl 0.10823164D 01 0.68128319D-03 0.28077332D 02

KE0700 0.71180640D 03 0.61150000D 03 288 429 O.lOD-03

KE0701

KE0701

I 7 FRANCISl

0.51027295D 03

0.10566082D 01 0.76659396D-03 0.29826403D 01

288 360 0.14D-03

KE0702

KE0702

H 10 FRANCISl

0.59130103D 03

0.10744505D 01 0.73973392D-03 0.12342205D 02

253 394 0.41D-03

KE0720

KE0720

G 24 FRANCISl

0.59359106D 03

0.10650043D 01 0.79409732D-03 0.79816027D 01

283 374 0.39D-03

KE0725

KE0725

I 20 FRANCISl

0.63199292D 03

0.12179537D 01 0. 8006927 lD-03 0.10817964D 02

288 374 0.18D-03

KE0730

KE0730

I 18 FRANCISl

0.60423389D 03

0.12222862D 01 0.81374589D-03 0.84028273D 01

277 374 O.lOD-03

KE0735

KE0735

I 13 FRANCISl

0. 1046335 7D 04

0.13543797D 01 0.89812255D-03 0.94656706D 01

313 374 0.31D-03

KE0740

KE0740

I 7 FRANCISl

0.65876953D 03

0.11986494D 01 0.81006484D-03 0.38449039D 01

297 374 0.75D-04

KE0745

KE0745

J 7 FRANCISl

0.66066748D 03

0.11601934D 01 0.70832646D-03 0.10340004D 02

292 357 0.14D-02

KE0746

KE0746

J 6 FRANCISl

0.44958086D 04

0.11473150D 01 0.77219424D-03 0.26848648D 02

291 361 0.78D-03

KE0747

KE0747

G 8 FRANCISl

0.37699731D 03

0.11351528D 01 0.70543634D-03 0.90721703D 00

291 360 0.37D-02

KE0760

KE0760

I 5 FRANCISl

0.61806470D 03

0.13968458D 01 0.88775204D-03 0.16219463D 01

348 401 0.42D-03

KE0800

KE0800

H 17 FRANCISl

0. 649065 19D 03

0.10774565D 01 0.79408265D-03 0.89678802D 01

253 434 0.26D-03

KE0801

KE0801

I 6 FRANCISl

0.37720679D 03

0.10447025D 01 0.75790938D-03 0.56298885D-01

293 360 0.13D-03

KE0802

KE0802

K 3 FRANCISl

O.OOOOOOOOD 00

0.10581158D 01 0.81718800D-03 O.OOOOOOOOD 00

297 324

KE0850

KE0850

K 2 FRANCISl

O.OOOOOOOOD 00

0.10557714D 01 0.85020700D-03 O.OOOOOOOOD 00

293 299

KE0890

KE0890

I 8 FRANCISl

0.55955298D 03

0.11752396D 01 0. 74465 154D-03 0.23469505D 01

329 412 0.72D-04

KE0910

KE0910

K 3 FRANCISl

O.OOOOOOOOD 00

0.11457132D 01 0.83233000D-03 O.OOOOOOOOD 00

273 294

KE0930

KE0930

I 20 FRANCISl

0.51158325D 03

0.12116728D 01 0.71956799D-03 0.64043417D 01

277 374 0.13D-03

KE0950

KE0950

H 17 FRANCISl

0.74487476D 03

0.12849731D 01 0.82102115D-03 0.73394318D 01

293 475 0.84D-04

KE0980

KE0980

K 2 FRANCISl

O.OOOOOOOOD 00

0.14689927D 01 0.94420500D-03 O.OOOOOOOOD 00

293 299

KEIOOO

KEIOOO

H 16 FRANCISl

0.71997681D 03

0.10667076D 01 0.69098081D-03 0.18308731D 02

298 439 0.74D-04

KElOOl

KElOOl

J 4 FRANCISl

0.30584688D 04

0.10525827D 01 0.76424866D-03 0.19214630D 02

293 359 0.25D-02

KE1002

KE1002

K 3 FRANCISl

O.OOOOOOOOD 00

0.10635706D 01 0.82080900D-03 O.OOOOOOOOD 00

297 324

KE1003 H 8 FRANCISl 0.10534096D 01 0.79098716D-03 0.49999952D-02

KE1003 0.88935620D 03 0.64000000D 03 283 360 0.49D-03

KE1020

KE1020

I 6 FRANCISl

0.60697998D 03

0.10386066D 01 0.75689703D-03 0.34747953D 01

293 359 0.22D-03

87
Table 15. Range 2 liquid density correlations—Continued

KE2130

KE2130

I 4 FRANCISl

0.38810552D 04

0.12822104D 01 0.88562258D-03

KE2150

KE2150

I 9 FRANCISl

0.12922126D 04

0.12204685D 01 0.79455716D-03

KE2155

KE2155

I 4 FRANCISl

0.24433069D 04

0.12095985D 01 0.79942029D-03

KE2170

KE2170

K 2 FRANCISl

O.OOOOOOOOD 00

0.12807347D 01 0.86907800D-03

KE2190

KE2190

K 3 FRANCISl

O.OOOOOOOOD 00

0.16299756D 01 0.10330470D-02

KE2225

KE2225

I 6 FRANCISl

0.22372144D 04

0.11714888D 01 0.66504418D-03

KE2235

KE2235

K 3 FRANCISl

O.OOOOOOOOD 00

0.11643365D 01 0.87794400D-03

KE2250

KE2250

I 8 FRANCISl

0.65498828D 04

0.11945877D 01 0.78531238D-03

KE2260

KE2260

I 4 FRANCISl

0.45346445D 04

0.13363056D 01 0.72387094D-03

KE2300

KE2300

I 14 FRANCISl

0.67093164D 03

0.10458326D 01 0. 6968046 lD-03

KE2350

KE2350

I 4 FRANCISl

0.49937061D 03

0.11599350D 01 0.66308654D-03

KE2365

KE2365

H 16 FRANCISl

0.69762964D 03

0.13401823D 01 0.75588422D-03

KE2380

KE2380

I 4 FRANCISl

0.38099902D 03

0.13082275D 01 0.72633754D-03

KE2430

KE2430

I 7 FRANCISl

0.16007200D 04

0.14260750D 01 0.73180185D-03

KE2445

KE2445

I 4 FRANCISl

0.17073696D 04

0.12868528D 01 0.70454692D-03

KE2460

KE2460

K 2 FRANCISl

O.OOOOOOOOD 00

0.15605904D 01 0.87257900D-03

KE2506

KE2506

K 3 FRANCISl

O.OOOOOOOOD 00

0.10552623D 01 0.76081000D-03

KE2540

KE2540

I 8 FRANCISl

0.99052905D 03

0.11673403D 01 0.70211850D-03

KE2565

KE2565

I 4 FRANCISl

0.12629890D 04

0.12601871D 01 0.69377758D-03

KE2630

KE2630

I 4 FRANCISl

0.17556663D 04

0.13531923D 01 0.77704038D-03

KE2645

KE2645

I 4 FRANCISl

0.80786211D 04

0.12418633D 01 0.70035667D-03

KE2680

KE2680

J 4 FRANCISl

0.31303765D 04

0.15772915D 01 0.82694599D-03

KE2685

KE2685

I 4 FRANCISl

0.15690449D 04

0.17867718D 01 0.96267578D-03

KE2688

KE2688

I 4 FRANCISl

0.44107930D 04

0.15926456D 01 0.86395908D-03

KE2707

KE2707

K 2 FRANCISl

O.OOOOOOOOD 00

0.10381524D 01 0.69986300D-03

KE2745

KE2745

K 3 FRANCISl

O.OOOOOOOOD 00

0.13130190D 01 0.71617300D-03

0.85805788D 01

289 352 0.20D-03

0. 14701 186D 02

292 355 O.llD-03

0.79448156D 01

293 360 0.24D-03

O.OOOOOOOOD 00

287 294

O.OOOOOOOOD 00

362 407

0.63866241D 02

343 416 0.17D-03

O.OOOOOOOOD 00

288 294

0.15419426D 02

299 354 0.13D-03

0.2176155 ID 02

293 359 0.26D-03

0.47666807D 01

303 434 0.28D-04

0. 266665 17D 01

294 354 0.12D-03

0.4505535 ID 01

328 524 0.21D-03

0.51078349D-02

293 359 0.23D-04

0.32127676D 01

403 461 0.72D-03

0.12738742D 02

293 359 0.38D-03

O.OOOOOOOOD 00

565 576

O.OOOOOOOOD 00

312 354

0.19182373D 02

293 354 O.lOD-03

0.52163324D 01

293 359 O.llD-03

0.37081345D 02

348 407 0.29D-03

0.49999952D-02

293 359 0.23D-03

0.15674782D 03

367 427 0.41D-02

0.19923569D 02

346 409 0 . 82D-03

0.50203278D 02

367 423 0.84D-03

O.OOOOOOOOD 00

333 354

O.OOOOOOOOD 00

391 445

89
Table 15. Range 2 liquid density correlations—Continued

KE2755 I 4 FRANCISl 0.122685340

KE2755 0.693406010 03

KE2835 I 5 FRANCISl 0.113838480

KE2835 0.243303690 04

KE2845 I 4 FRANCISl 0.121374800

KE2845 0.120912010 04

KE3050 I 5 FRANCISl 0.112905410

KE3050 0.275603540 04

KE3310 K 2 FRANCISl 0.103381060

KE3310 0.000000000 00

KE3350 I 5 FRANCISl 0.110217290

KE3350 0.601883060 03

KE3712 K 2 FRANCISl 0.102278950

KE3712 0.000000000 00

KE4114 J 5 FRANCISl 0.103100590

KE4114 0.758692380 03

KE4516 K 2 FRANCISl 0.105524160

KE4516 0.000000000 00

0.67655882D-03 0.18401814D 01

293 359 0.49D-04

0.66913106D-03 0.49246109D 02

319 357 0.15D-03

0.67674927D-03 0.45696878D 01

293 359 0.89D-04

0.66905282D-03 0.51053818D 02

328 355 0.14D-03

0.67308100D-03 O.OOOOOOOOD 00

343 365

0.68568555D-03 0.27912140D 00

353 574 0.63D-03

0.633468000-03 O.OOOOOOOOD 00

353 365

0.64559 1880-03 0.197659490 00

363 574 0.130-02

0.711843000-03 O.OOOOOOOOD 00

361 369

01

01

01

01

01

01

01

01

01

90
Table 16. Range 3 liquid density correlations

KE0300 D 53 FRANCISl 0.11216850D 01 0.97801606D-03 0.1205 25 04D 02

KE0300 0.55959619D 03 0.50809985D 03 178 476 0.71D-03

KE0340 K 3 FRANCISl 0.13919132D 01 0.10882850D-02 O.OOOOOOOOD 00

KE0340 O.OOOOOOOOD 00 277 299

KE0380 H 12 FRANCISl 0.23480034D 01 0.25871226D-02 0.31269958D 02

KE0380 0. 422129 15D 03 0.35713477D 03 210 295 0.14D-02

KE0400 G 47 FRANCISl 0.11 104259D 01 0.81403158D-03 0.19753296D 02

KE0400 0.58889380D 03 0.53677979D 03 195 324 0.17D-03

KE0420 I 13 FRANCISl 0. 1223635 7D 01 0.87728817D-03 0.74975948D 01

KE0420 0.52308423D 03 273 363 0.51D-03

KE0430 I 9 FRANCISl 0.14537134D 01 0.10908672D-02 0.14505398D 02

KE0430 0.65764941D 03 282 303 0.14D-03

KE0500 H 9 FRANCISl 0.1093625 ID 01 0.96370699D-03 0.48774409D 00

KE0500 0.42092505D 03 0.56107983D 03 233 354 O.llD-03

KE0501 H 19 FRANCISl 0.10943232D 01 0.86304802D-03 0.7036044ID 01

KE0501 0.55340259D 03 0.56145996D 03 273 348 0.66D-04

KE0505 K 3 FRANCISl 0.10588190D 01 0.84827400D-03 O.OOOOOOOOD 00

KE0505 O.OOOOOOOOD 00 283 324

KE0510 H 27 FRANCISl 0.12644968D 01 0.89787156D-03 0.80934544D 01

KE0510 0.61981030D 03 277 374 0.20D-03

KE0520 H 15 FRANCISl 0.12307463D 01 0.95416536D-03 0.36097822D 01

KE0520 0.17891855D 04 273 364 0.12D-03

KE0530 I 4 FRANCISl 0.11695671D 01 0.90240128D-03 0.82282317D 00

KE0530 0.43741748D 03 293 361 0.59D-04

KE0540 K 3 FRANCISl 0.1 1309 113D 01 0.95017100D-03 O.OOOOOOOOD 00

KE0540 O.OOOOOOOOD 00 293 299

KE0563 K 2 FRANCISl 0.12291625D 01 0.82216200D-03 O.OOOOOOOOD 00

KE0563 O.OOOOOOOOD 00 293 299

KE0568 K 2 FRANCISl 0.14145337D 01 0.11002640D-02 O.OOOOOOOOD 00

KE0568 O.OOOOOOOOD 00 293 299

KE0600 H 7 FRANCISl 0.10629501D 01 0.76617324D-03 0.67085629D 01

KE0600 0.54074902D 03 0.58700000D 03 283 334 0.18D-03

KE0601 I 4 FRANCISl 0.10622683D 01 0.75031724D-03 0.48805723D 01

KE0601 0.47581445D 03 0.58281982D 03 297 324 0.14D-04

KE0604 H 18 FRANCISl 0. 106664280 01 0.82335575D-03 0.69826603D 01

KE0604 0.57530029D 03 0.57100000D 03 273 374 O.llD-03

KE0607 I 13 FRANCISl 0.10912037D 01 0.94584492D-03 0.63908215D 01

KE0607 0.12265347D 04 0.56700000D 03 293 354 0.29D-04

KE0610 K 2 FRANCISl 0.11699327D 01 0.67871500D-03 O.OOOOOOOOD 00

KE0610 O.OOOOOOOOD 00 293 299

KE0615 J 21 FRANCISl 0.12592354D 01 0.73114224D-03 0.24115524D 02

KE0615 0.65499878D 03 277 374 0.51D-03

KE0620 H 15 FRANCISl 0.12110815D 01 0.84087066D-03 0.62623587D 01

KE0620 0. 6404025 9D 03 0.62900000D 03 273 354 0.49D-04

KE0625 K 3 FRANCISl 0.11754525D 01 0.89549800D-03 O.OOOOOOOOD 00

KE0625 O.OOOOOOOOD 00 293 361

KE0650 I 6 FRANCISl 0.11541748D 01 0.92861406D-03 0.1276900 ID 02

KE0650 0.83510986D 03 293 394 0.43D-04

KE0660 I 4 FRANCISl 0.15 1055 15D 01 0.97980653D-03 0.19811020D 02

KE0660 0.90835181D 03 395 434 0.17D-03

KE0670 I 6 FRANCISl 0.12066355D 01 0.88522420D-03 0.25476007D 01

KE0670 0.59638232D 03 293 394 0.18D-03

91
Table 16. Range 3 liquid density correlations—Continued

KE0700 G 16 FRANCISl 0.10823164D 01 0.68128319D-03

KE0700 0.71180640D 03 0.61150000D 03

KE0701

KE0701

I 7 FRANCISl

0.51027295D 03

0.10566082D 01 0.76659396D-03

KE0702

KE0702

H 10 FRANCISl

0.59130103D 03

0.10744505D 01 0.73973392D-03

KE0720

KE0720

G 24 FRANCISl

0.59359106D 03

0.10650043D 01 0.79409732D-03

KE0725

KE0725

I 20 FRANCISl

0.63199292D 03

0.12179537D 01 0.80069271D-03

KE0730

KE0730

I 18 FRANCISl

0.60423389D 03

0.12222862D 01 0.81374589D-03

KE0735

KE0735

I 13 FRANCISl

0. 1046335 7D 04

0. 1354379 7D 01 0.89812255D-03

KE0740

KE0740

I 7 FRANCISl

0.65876953D 03

0.11986494D 01 0.81006484D-03

KE0745

KE0745

J 7 ERANCISl

0.66066748D 03

0.11601934D 01 0.70832646D-03

KE0746

KE0746

J 6 FRANCISl

0.44958086D 04

0.11473150D 01 0.77219424D-03

KE0747

KE0747

G 8 FRANCISl

0.37699731D 03

0.11351528D 01 0.70543634D-03

KE0760

KE0760

I 5 FRANCISl

0.61806470D 03

0.13968458D 01 0.88775204D-03

KE0800

KE0800

H 17 FRANCISl

0. 649065 19D 03

0.10774565D 01 0.79408265D-03

KE0801

KE0801

I 6 FRANCISl

0.37720679D 03

0.10447025D 01 0.75790938D-03

KE0802

KE0802

K 3 FRANCISl

O.OOOOOOOOD 00

0.10581158D 01 0.81718800D-03

KE0850

KE0850

K 2 FRANCISl

O.OOOOOOOOD 00

0.10557714D 01 0.85020700D-03

KE0890

KE0890

I 8 FRANCISl

0.55955298D 03

0.11752396D 01 0. 74465 154D-03

KE0910

KE0910

K 3 FRANCISl

O.OOOOOOOOD 00

0.11457132D 01 0.83233000D-03

KE0930

KE0930

I 20 FRANCISl

0.51158325D 03

0.12116728D 01 0.71956799D-03

KE0950

KE0950

H 17 FRANCISl

0.74487476D 03

0.12849731D 01 0.82102115D-03

KE0980

KE0980

K 2 FRANCISl

O.OOOOOOOOD 00

0.14689927D 01 0.94420500D-03

KEIOOO

KEIOOO

H 16 FRANCISl

0.71997681D 03

0.10667076D 01 0.69098081D-03

KElOOl

KElOOl

J 4 FRANCISl

0.30584688D 04

0.10525827D 01 0.76424866D-03

KE1002

KE1002

K 3 FRANCISl

O.OOOOOOOOD 00

0. 10635 706D 01 0.82080900D-03

KE1003 H 8 FRANCISl 0.10534096D 01 0.79098716D-03

KE1003 0.88935620D 03 0.64000000D 03

KE1020

KE1020

I 6 FRANCISl

0.60697998D 03

0.10386066D 01 0.75689703D-03

0.28077332D 02

288 429 O.lOD-03

0.29826403D 01

288 360 0.14D-03

0.12342205D 02

253 394 0.41D-03

0.79816027D 01

283 374 0.39D-03

0.10817964D 02

288 374 0.18D-03

0.84028273D 01

277 374 O.lOD-03

0.94656706D 01

313 374 0.31D-03

0.38449039D 01

297 374 0.75D-04

0.10340004D 02

292 357 0.14D-02

0.26848648D 02

291 361 0.78D-03

0.90721703D 00

291 360 0.37D-02

0.16219463D 01

348 401 0.42D-03

0.89678802D 01

253 434 0.26D-03

0.56298885D-01

293 360 0.13D-03

O.OOOOOOOOD 00

297 324

O.OOOOOOOOD 00

293 299

0.23469505D 01

329 412 0.72D-04

O.OOOOOOOOD 00

273 294

0.64043417D 01

277 374 0.13D-03

0.73394318D 01

293 475 0.84D-04

O.OOOOOOOOD 00

293 299

0.18308731D 02

298 439 0.74D-04

0.19214630D 02

293 359 0.25D-02

O.OOOOOOOOD 00

297 324

0.49999952D-02

283 360 0.49D-03

0.34747953D 01

293 359 0.22D-03

92
Table 16. Range 3 liquid density correlations—Continued

KE1040

KE1040

K 2 FRANCISl

O.OOOOOOOOD 00

0.10481059D 01 0.76418900D-03

KE1150

KE1150

I 4 FRANCISl

0.49241553D 03

0.11017246D 01 0.64413319D-03

KE1180

KE1180

I 4 FRANCISl

0.43193555D 03

0.12283163D 01 0.72272122D-03

KE1181

KE1181

I 7 FRANCISl

0.51115088D 03

0.12354736D 01 0.75112213D-03

KE1250

KE1250

I 9 FRANCISl

0.10811353D 04

0.13698235D 01 0.83868415D-03

KE1320

KE1320

K 2 FRANCISl

O.OOOOOOOOD 00

0.11775263D 01 0.82878800D-03

KE1350

KE1350

K 3 FRANCISl

O.OOOOOOOOD 00

0.19414714D 01 0.12592340D-02

KE1360

KE1360

K 3 FRANCISl

O.OOOOOOOOD 00

0.14523771D 01 0.95708700D-03

KE1400

KE1400

K 3 FRANCISl

O.OOOOOOOOD 00

0.10606149D 01 0.80690800D-03

KE1401

KE1401

I 4 FRANCISl

0.52146802D 03

0.10355082D 01 0.68153860D-03

KE1403

KE1403

K 3 FRANCISl

O.OOOOOOOOD 00

0.10556330D 01 0.78969400D-03

KE1530

KE1530

I 7 FRANCISl

0.58048584D 03

0.11216106D 01 0.75179804D-03

KE1550

KE1550

I 5 FRANCISl

0.11632017D 04

0.11585274D 01 0. 8841229 lD-03

KE1580

KE1580

J 6 FRANCISl

0. 73905 195D 04

0.11929045D 01 0.71501243D-03

KE1620

KE1620

K 3 FRANCISl

O.OOOOOOOOD 00

0.12227294D 01 0.85964500D-03

ke:i64o

KE1640

K 3 FRANCISl

O.OOOOOOOOD 00

0.11054682D 01 0.64550500D-03

KE1660

KE1660

K 2 FRANCISl

O.OOOOOOOOD 00

0.12286730D 01 0.10305550D-02

KE1680

KE1680

K 2 FRANCISl

O.OOOOOOOOD 00

0.12271983D 01 0. 100028 lOD-02

KE1750

KE1750

I 7 FRANCISl

0.44262402D 03

0.11910629D 01 0.65790350D-03

KE1760

KE1760

I 4 FRANCISl

0.37699731D 03

0.12143669D 01 0.77111414D-03

KE1762

KE1762

I 4 FRANCISl

0.39578760D 03

0.11962500D 01 0. 706846 13D-03

KE1860

KE1860

I 8 FRANCISl

0.49347217D 03

0.13859816D 01 0. 9446896 lD-03

KE2000

KE2000

I 4 FRANCISl

0.85100244D 03

0.16353292D 01 0.10515784D-02

KE2100

KE2100

G 28 FRANCISl

0.76776074D 03

0.10617561D 01 0.66399807D-03

KE2104

KE2104

I 5 FRANCISl

0.50070825D 03

0.10162287D 01 0.57980116D-03

KE2120

KE2120

I 9 FRANCISl

0.16314060D 04

0.11690245D 01 0.72760601D-03

O.OOOOOOOOD 00

293 299

0.50127020D 01

303 363 0.56D-05

0.87706625D 00

293 359 O.lOD-03

0.29371872D 01

293 359 0.28D-03

0. 96535 120D 01

313 354 0.22D-03

O.OOOOOOOOD 00

289 294

O.OOOOOOOOD 00

306 347

O.OOOOOOOOD 00

292 362

O.OOOOOOOOD 00

288 304

0.24201708D 01

293 359 0.71D-04

O.OOOOOOOOD 00

297 324

0.11565094D 01

273 374 0.47D-04

0.99014626D 01

287 294 0.14D-04

0.31916519D 02

291 359 0.76D-03

O.OOOOOOOOD 00

453 474

O.OOOOOOOOD 00

286 294

O.OOOOOOOOD 00

289 294

O.OOOOOOOOD 00

288 294

0.14866219D 01

291 360 0.26D-03

0.56137331D-01

293 360 0.21D-04

0.24943739D 00

298 361 0.45D-06

0.49999952D-02

333 374 0.92D-03

0.53056593D 01

296 354 0.18D-03

0.19551086D 02

293 434 0.88D-04

0.45092754D 01

293 360 0.12D-03

0.35297394D 01

301 412 O.llD-03

93
Table 16. Range 3 liquid density correlations —Continued

KE2130

KE2130

I 4 FRANCISl

0.38810552D 04

0.12822104D 01 0.88562258D-03

KE2150

KE2150

I 9 FRANCISl

0.12922126D 04

0.12204685D 01 0.79455716D-03

KE2155

KE2155

I 4 FRANCISl

0.24433069D 04

0.12095985D 01 0.79942029D-03

KZ2170

KE2170

K 2 FRANCISl

O.OOOOOOOOD 00

0.12807347D 01 0.86907800D-03

KE2190

KE2190

K 3 FRANCISl

O.OOOOOOOOD 00

0.16299756D 01 0.10330470D-02

KE2225

KE2225

I 6 FRANCISl

0.22372144D 04

0.11714888D 01 0.66504418D-03

KE2235

KE2235

K 3 FRANCISl

O.OOOOOOOOD 00

0.11643365D 01 0.87794400D-03

KE2250

KE2250

I 8 FRANCISl

0.65498828D 04

0.11945877D 01 0.78531238D-03

KE2260

KE2260

I 4 FRANCISl

0.45346445D 04

0.13363056D 01 0.72387094D-03

KE2300

KE2300

I 14 FRANCISl

0.67093164D 03

0.10458326D 01 0. 6968046 lD-03

KE2350

KE2350

I 4 FRANCISl

0.49937061D 03

0.11599350D 01 0.66308654D-03

KE2365

KE2365

H 16 FRANCISl

0.69762964D 03

0.13401823D 01 0.75588422D-03

KE2380

KE2380

I 4 FRANCISl

0.38099902D 03

0.13082275D 01* 0.72633754D-03

KE2430

KE2430

I 7 FRANCISl

0.16007200D 04

0.14260750D 01 0.73180185D-03

KE2445

KE2445

I 4 FRANCISl

0.17073696D 04

0.12868528D 01 0.70454692D-03

KE2460

KE2460

K 2 FRANCISl

O.OOOOOOOOD 00

0.15605904D 01 0.87257900D-03

KE2506

KE2506

K 3 FRANCISl

O.OOOOOOOOD 00

0.10552623D 01 0.76081000D-03

KE2540

KE2540

I 8 FRANCISl

0.99052905D 03

0.11673403D 01 0.70211850D-03

KE2565

KE2565

I 4 FRANCISl

0.12629890D 04

0.12601871D 01 0.69377758D-03

KE2630

KE2630

I 4 FRANCISl

0.17556663D 04

0.13531923D 01 0.77704038D-03

KE2645

KE2645

I 4 FRANCISl

0.80786211D 04

0.12418633D 01 0.70035667D-03

KE2680

KE2680

J 4 FRANCISl

0.31303765D 04

0. 157729 15D 01 0.82694599D-03

KE2685

KE2685

I 4 FRANCISl

0.15690449D 04

0.17867718D 01 0.96267578D-03

KE2688

KE2688

I 4 FRANCISl

0.44107930D 04

0.15926456D 01 0.86395908D-03

KE2707

KE2707

K 2 FRANCISl

O.OOOOOOOOD 00

0.10381524D 01 0.69986300D-03

KE2745

KE2745

K 3 FRANCISl

O.OOOOOOOOD 00

0.13130190D 01 0.71617300D-03

0.85805788D 01

289 352 0.20D-03

0.14701186D 02

292 355 O.llD-03

0.79448156D 01

293 360 0.24D-03

O.OOOOOOOOD 00

287 294

O.OOOOOOOOD 00

362 407

0.63866241D 02

343 416 0.17D-03

O.OOOOOOOOD 00

288 294

0.15419426D 02

299 354 0.13D-03

0.21761551D 02

293 359 0.26D-03

0.47666807D 01

303 434 0.28D-04

0. 266665 17D 01

294 354 0.12D-03

0.4505535 ID 01

328 524 0.21D-03

0.51078349D-02

293 359 0.23D-04

0.32127676D 01

403 461 0.72D-03

0.12738742D 02

293 359 0.38D-03

O.OOOOOOOOD 00

565 576

O.OOOOOOOOD 00

312 354

0.19182373D 02

293 354 O.lOD-03

0.52163324D 01

293 359 O.llD-03

0.37081345D 02

348 407 0.29D-03

0.49999952D-02

293 359 0.23D-03

0.15674782D 03

367 427 0.41D-02

0.19923569D 02

346 409 0 . 82D-03

0.50203278D 02

367 423 0.84D-03

O.OOOOOOOOD 00

333 354

O.OOOOOOOOD 00

391 445

94
Table 16. Range 3 liquid density correlations—Continued

KE2755

KE2755

I 4 FRANCISl

0.69340601D 03

0.12268534D 01 0.67655882D-03 0.18401814D 01

293 359 0.49D-04

KE2835

KE2835

I 5 FRANCISl

0.24330369D 04

0.11383848D 01 0.66913106D-03 0.49246109D 02

319 357 0.15D-03

KE2845

KE2845

I 4 FRANCISl

0.1209 120 ID 04

0.12137480D 01 0.67674927D-03 0.45696878D 01

293 359 0.89D-04

KE3050

KE3050

I 5 FRANCISl

0.27560354D 04

0.11290541D 01 0.66905282D-03 0.51053818D 02

328 355 0.14D-03

KE3310

KE3310

K 2 FRANCISl

O.OOOOOOOOD 00

0.10338106D 01 0.67308100D-03 O.OOOOOOOOD 00

343 365

KE3350

KE3350

I 5 FRANCISl

0.60188306D 03

0.11021729D 01 0.68568555D-03 0.27912140D 00

353 574 0.63D-03

KE3712

KE3712

K 2 FRANCISl

O.OOOOOOOOD 00

0.10227895D 01 0.63346800D-03 O.OOOOOOOOD 00

353 365

KE:4114

KE4114

J 5 FRANCISl

0.75869238D 03

0.10310059D 01 0. 64559 188D-03 0.19765949D 00

363 574 0.13D-02

KE4516

KE4516

K 2 FRANCISl

O.OOOOOOOOD 00

0.10552416D 01 0.71184300D-03 O.OOOOOOOOD 00

361 369

95
Table 17. Range 4 liquid density correlations

KE0300

KE0300

H 13 FRANCIS2 0. 11984767D-02 0.22339842D 01 0.27800000D 00

0.50809985D 03 460 508 0.26D-02

96
The last three items are the same as in the vapor pressure tables. The

lower and upper temperature limits define the range of the experimental data

points actually fitted by the correlation. The rmsd values are much better

behaved than for vapor pressure due to the small numerical range covered by

the liquid density, and are therefore easier to use in judging the scatter of

the data points fitted in a given correlation.

As in the case of vapor pressure, a superficial judging of the quality of

a correlation should be based on the quality rating primarily, with the

number of points fitted and the rmsd value considered next in that order.

5.4. Second Virial Coefficient

The quality ratings defined in Table 13 are not as useful for the second

virial coefficient correlations as for the vapor pressure and liquid density.

As explained in section 4.4, the literature data are not screened and no final

selected set of data points is fitted to a selected correlation equation. Instead, a curve predicted by each of six predictive equations is "drawn”

through all the available literature data sets for each compound. Table 4 shows

how well each predictive equation agreed with each literature data set for the

various ketones for which second virial coefficient data have been measured.

The Tsonopoulos correlation [11414] was chosen for all those compounds except

2-butanone (KE0400) for which the Hayden-0' Connell [8531] correlation appeared

to be slightly better.

97
The parameters for the Taonopoulos equation for all those ketones with

T , P , acentric factor and dipole moment values are listed in Table 18. The

c c first tier of compounds are those for which experimental B values were available for checking the accuracy level of the Tsonopoulos equation. (See table 4.)

The second tier lists compounds for which no experimental B data are available

but for which the availability of T , P , u) and y values makes possible prec c dictions with the Tsonopoulos equation. Based on the performance of that

equation for the compounds in the first tier, there is a good probability that

the B values predicted for the second tier of compounds will be close enough

to be useful.

The Hayden-0' Connell parameters used for 2-butanone were as follows:

T^ - 533.0 K, P^ - 39.50 atm, y

- 2.70 Debye, n- 0.9, - 3.139 *A. These

parameters were taken from the Hayden-O-Connell article [8531] and therefore

differ in some instances from the values listed for 2-butanone in table 7.

6.0 Equations of State

The uses which can be made of the vapor pressure and liquid density data

are severely limited if a reliable equation of state is not available for the

compound. Unfortunately, all the equations of state require the availability

of T and P which limits their use to only a few compounds,

c c

98
Table 18. Parameters used in the Tsonopoulos equation

ID T^, K P , atm

c

OJ a b

KE0300 508.100 46.390 0.3073 -0.0301 0.0

KE0400 536.780 41.520 0.3220 -0.0228 0.0

KE0500 561.080 36.460 0.3470 -0.0176 0.0

KE0501 561.460 36.800 0.3410 -0.0177 0.0

KE0505 553.400 38.000 0.3301 -0.0195 0.0

KEoeoi^ 582.820 32.770 0.3794 -0.0142 0.0

KE0600 587.000 32.795 0.3942 -0.0140 0.0

KE0604^ 571.000 32.272 0.3663 -0.0150 0.0

KE0607 567.000 34.246 0.3229 -0.0172 0.0

KE0620 629.000 37.997 0.4524 -0.0187 0.0

KE0700 611.500 33.911 0.4857 -0.0127 0.0

KE1003 640.000 22.897 0.5138 -0.00829 0.0

^Asstjmed values of 2.68 for KE0601 and 2.72 for KE0604

were used for the dipole moments.

99
An attempt is made to store in the pure compound data bank constants for

three types of equations of state:

1. Benedict-Webb-Rubin. The original BWR equation [1339], the Sood and

Haselden modification [9203], and the Starling modification [1794] can

all be used.

2. Redlich-Kwong. The original Redlich-Kwong equation [1454], the ChuehPrausnitz modification [7541], and the Lu modification [40370] are all

supported. The Peng-Robinson equation [40275] is also used and is listed

here because of its similarity to the Redlich-Kwong equation.

3. Virial. Space is assigned in the data bank for correlations for both the

second and third virial coefficients. Those equations used for B are

discussed in section 4.4. Up to the present time, the space for the C

correlation has not been used because of the lack of C data and the lack

of a reliable correlation equation.

No BWR constants are available for the ketones. Constants are not available for the Chueh-Prausnitz and the Lu modifications of the Redlich-Kwong.

Rather than use the unmodified Redlich-Kwong equation for those compounds with

T and P values, the Peng-Robinson equation could be used instead because

c c the acentric factor was also available for all those compounds: KE0300,

KE0370, KE0380, KE0400, KE0500, KE0501, KE0505, KE0600, KE0604, KE0607,

KE0620, KE0700,. KE1003. The T^, P^ and oj values appear in table 7.

100
7. Data Tabulations

As a final check on the selected data before it is loaded into the pure

compound data bank, program RECVAL is used to produce data tabulations for

proofing purposes. When satisfactory tables have been produced for all the

compounds, the selected data are loaded into the pure compound data bank where

it can be accessed via either interactive or batch programs

.

Copies of the RECVAL data tabulations for the 157 ketones for which some

storable data were found can be purchased for $200 by sending a check or a

purchase order number along with a request for one set of the ketone tables

to the Director, Thermodynamics Research Laboratory, Box 1144, Washington

University, St. Louis, Missouri 63130. The entire set of ketone tables must

be ordered; requests for individual tables will not be processed. A description of a compound table follows.

The first page lists the compound constants available for the compound.

Below that tabulation, the values of the conversion constants used to convert

the literature data values to the units used in the tables are given. The

units used for the tables are kelvin, kilopascals, cubic centime ter /mole

and joule/mole.

101
The tabulations of the temperature-dependent properties are split into

the following three temperature intervals,

Interval 1 T to (T, + 10)

m b

Interval 2 (T, + 5) to (T - 40)

D c

Interval 3 (T - 45) to T

c c

in order to best utilize the most accurate of the various temperature range

fits defined in sections 4.2.3 and 4.3.3. The range fits used for each

interval are as follows.

Interval Property Range fit

1 vapor pressure range 2

liquid density range 2

2 vapor pressure range 4

liquid density range 3

3 vapor pressure range 4

liquid density range 4

For each interval, the following properties are tabulated at 1.0 K intervals

when the necessary information is available: vapor pressure, saturated liquid

volume, second virial coefficient, heat of vaporization and saturated vapor

volume. Each of the first three requires that a correlation be available and

that the specific temperature being listed falls within the range of the

correlation being used. If a second virial coefficient correlation is stored

102
for the compound, a B value will be printed for all temperatures listed

because no temperature limits are stored with the correlation equation

constants. The heat of vaporization listed is calculated from the Clapeyron

equation and listed when vapor pressure and saturated liquid density values

are available, and an equation of state is available to provide the saturated

vapor molar volume. If an equation of state and the vapor pressure are available, the saturated vapor molar volume will be calculated and listed.

103
Following the data tabulation for each of the three intervals, the

equations used for that interval are printed along with their constants. The

temperature limits, the number of data points fitted and the root-meansquared deviation are given for each vapor pressure and liquid density equation.

The second virial coefficient correlation is printed (if one is available)

but no temperature limits, number of points, or root-mean-squared-deviation

are given. The name of the equation of state used for the interval calculations is given but the equation itself is not printed. The best equation of

state for an interval is chosen by program RECVAL by matching a hierarchy of

choices against what is available in the compound data files. For the ketones,

the virial and/or the Peng'-Robinson equations of state were available for

those compounds listed in sections 5.4 and 6.0. Equation of state calculations were made only if one or the other of those equations were available;

i.e., the ideal gas equation of state was not used as a default.

The last pages of each compound table list the literature reference

numbers associated with each property correlation. For the vapor pressure

and liquid density correlations, the lists are split into two parts —the

documents used and the documents not used for the correlation. A literature

document is listed as a "used" document if it contributed at least one data

point to the experimental data base upon which the correlation is based. The

breakdown between used and not used documents is not necessary for the second

virial coefficient correlation.

The used and not used reference numbers appearing at the end of a

compound table are those which appear in Table 19 for that compound.

104
8. References

Table 19 identifies the literature documents which contain data for the

various compound-property combinations. The compound is identified in the

first column by its identification number. The first letter following that

number is the property code—P for vapor pressure, D for liquid density, and

B for second virial coefficient. The second is either U for "used" or N for

"not used". Those literature documents listed after a U each contributed one

data point or more to the selected data base for the correlation. All the

data points in documents following an N were excluded from the correlation

data base. For each compound, the properties are listed in the order P, B

and D. Lines which contain no reference numbers have been deleted in this

tabulation. Note that all the literature documents for virial coefficient

data follow the U code because those data were not subjected to the selectiondeletion process used for the vapor pressure and density.

The citations for the literature documents listed in Table 19 and cited

in the text of this report are given in Table 20.

9 . Acknowledgements

Financial support for this project was provided by the Office of Standard

Reference Data and by the Industrial Participants in the Thermodynamics

Research Laboratory.

105
Table 19. Literature references for individual property correlations

KE0300 P U 00709 01514 02560 02575 05881 07952 10044 10253 10318 11081 16497

KE0300 P U 41354 41545 41685

KE0300 P N 00041 00129 00130 00189 00196 00202 00219 00340 00721 01284 01348

KE0300 P N 01359 01361 01578 01638 01674 01683 01780 01803 01826 01880 02242

KE0300 P N 02422 02478 02595 02673 02894 02899 02920 03087 03855 04423 04455

KE0300 P N 04637 04743 04839 05000 05030 05067 05143 05182 05901 05981 06035

KE0300 P N 06102 06104 06106 06108 06111 06115 06119 06482 06765 07073 07127

KE0300 P N 07140 07406 07510 07948 08672 09546 09767 10037 10131 10165 10358

KE0300 P N 10586 10763 10830 10841 10968 11019 11097 11364 11373 11410 11857

KE0300 P N 14102 15362 15518 15521 16587 16683 16911 17538 18048 18275 19402

KE0300 P N 19439 19951 20019 20137 20426 20469 20484 20711 21878 22903 22906

KE0300 P N 40067 40207 40217 40642 40979 41162 41522 41586 41759

KE0300 D U 00709 00777 01359 02478 05204 09277 10165 11019 15755 40228

KE0300 D N 00072 00852 01360 02449 02509 02546 02608 02962 04606 04731 05857

KE0300 D N 07127 07919 10163 14087 14102 14146 17032 19402 22860 23109 40207

KE0300 D N 40489 40816

KE0300 B U 01257 01803 01950 02422 02678 05214 05283 05948 08330 08577 09027

KE0300 B U 10972 20469

KE0305 P U 40217

KE0340 D U 13835

KE0360 P U 22644

KE0360 P N 07198

KE0361 P U 22644

KE0362 P U 22644

KE0370 P U 10015

KE0380 P U 07465 10015 15034 16255 23080

KE0380 D U 07465

KE0380 D N 10015 15034

KE0400 P U 00697 01005 02920 03760 10318 10901 11081

KE0400 P N 01146 01361 01780 01880 01882 01985 02560 03209 04418 05030 05067

KE0400 P N 06128 06763 07162 07439 08193 08971 09712 10834 10998 11017 11130

KE0400 P N 11162 11178 13138 13799 14102 17059 20484 22466 40936 41379

KE0400 D U 00241 01859 02045 02478 02920 03386 04220 06763 07452 09002 09712

KE0400 D U 10163 11017 11243 12590 14102 15411 20486 40566 40936 41379

KE0400 D N 00288 01360 03209 03974 05076 07439 07470 08860 09920 10449 11072

KE0400 D N 13138 14815 15755 17059 17194 19999 21419 23174 23353 40489 41041

KE0400 B U 10901 21584

KE0410 P U 01732 10537 14792

KE0410 P N 15791 19474

KE0420 P U 22762 40284

KE0420 P N 03383 06237 18654

KE0420 D U 03383 06237 40284

KE0420 D N 18654

KE0430 P U 13997

KE0430 D U 13997

KE0440 P U 02219 05999 10531 18774

KE0440 P N 15628

KE0445 P U 11752

106
Table 19. Literature references for individual property correlations —Continued

KE0445 P N 09754

KE0446 P U 22770

KE0450 P U 14415

KE0451 P U 14415

KE0460 P U 15556

KE0500 P U 04418 05067 10318 10901

KE0500 P N 02314 02369 05143 06717 07406 07439 09920 10560 11097 11733 12038

KE0500 P N 13138 13799 21281 40936

KE0500 D U 07439 07470 40489

KE0500 D N 02369 02456 05759 07372 07483 07611 09002 09712 09920 10483 10560

KE0500 D N 11733 12038 13065 13138 15411 20486 40566 40936 41156

KE0500 B U 10901

KE0501 P U 04033 05067 10318

KE0501 P N 00947 01091 01361 03069 03549 04418 05839 06216 07439 07879 10539

KE0501 P N 11097 11733 21281 22906

KE0501 D U 01360 05839 07483 09920 11733 13138 15411 17509 40353 40425 40566

KE0501 D U 41156

KE0501 D N 02856 02894 04220 04269 04703 06216 07439 07449 07470 07879 13065

KE0501 D N 20615

KE0501 B U 04033 21584

KE0505 P U 04033 05067 10318

KE0505 P N 01091 01361 07406 11733 13799 21601

KE0505 D U 01091 21601

KE0505 D N 04703 13065 13151

KE0505 B U 04033

KE0510 P U 15791 16370 41430

KE0510 P N 02314 05858 06747 07919 09948 21283

KE0510 D U 05858 13839

KE0510 D N 02663 03512 06747 13847 15791 16355 22775

KE0520 P U 02060 05067 07406 22762 40284

KE0520 P N 04670 07948 08193 09754 09923 10472 14204 14453 18654 18956 21047

KE0520 P N 21283 21545 22760 40156

KE0520 D U 00072 02840 04670 07948 18654 18956 40156

KE0520 D N 04269 09923 14204 21198 21388

KE0530 P U 13292 15758

KE0530 P N 05999 08166 14422 15701

KE0530 D U 14422

KE0530 D N 05999 13292 15701

KE0540 P U 01361 23278

KE0540 P N 13151

KE0540 D U 01360 23270

KE0540 D N 05999 10531 15628 18774

KE0555 P U 13274

KE0563 P u 01361

KE0563 D u 01360

KE0565 P u 07045

KE0566 P u 01146

KE0568 D u 22784

KE0570 P u 13274

KE0600 P u 10318

KE0600 P N 02314 07439 09712 11733 12996 13065 13138 13799 21283

107
Table 19. Literature references for individual property correlations—Continued

KE0600 D U 01091 07439 09712 13065

KE0600 D N 04703 12996 13138 40489

KE0601 P U 04033 10318

KE0601 P N 04418 07570 13065 13138 16695 21283

KE0601 D U 13065 13138

KE0601 D N 07439

KE0601 B U 04033

KE0604 P U 01091 05067 11773 13065

KE0604 P N 00925 01856 03750 06080 07319 08145 08181 08768 09138 11733 13799

KE0604 P N 15869 17908 19474 22902 23180 40230 40936 41379

KE0604 D U 05115 07470 09138 11733 11773 15411 22902 23180 40228 41379 41407

KE0604 D U 41622

KE0604 D N 00925 03699 05876 07439 11233 13065 15869 20519 20529 40936

KE0605 P U 08181 13065 15776 21544

KE0605 P N 13799

KE0607 P U 10318 13065

KE0607 P N 05876 07301 07406 08193 10483

KE0607 D U 10483

KE0607 D N 05876 13065 22773

KE0610 D U 03512 16355

KE0610 D N 09493 14025

KE0615 D U 13839

KE0620 P U 01095 03023 04670 10697 18421 18956 19429 40158

KE0620 P N 02060 02894 04720 06763 08539 08915 09923 10569 14204 14453 15791

KE0620 P N 16574 18654 19474 21283 22760 23135 23414 40682

KE0620 D U 01529 02840 02894 04670 06763 40158

KE0620 D N 02456 04269 04731 09923 11502 14204 15702 15791 18421 18654 18956

KE0620 D N 21365 23395

KE0625 D U 09923

KZ0640 P U 05067

KE0640 P N 22452

KE0645 P U 13236

KE0650 P U 11773 13236

KE0650 P N 03023 04755 10472 14453 20809 21283

KE0650 D U 11773

KE0650 D N 01176 13236 20809 22408

KE0660 P U 20670

KE0660 D U 14192

KE0670 P U 01146 06962

KE0670 P N 05741 09754 11773 12938

KE0670 D U 11773

KE0670 D N 20707

KE0680 P U 22755

KE0700 P U 01499 10318

KE0700 P N 07439 10483 12038 13065 14905

KE0700 D U 09712 10483 12038

KE0700 D N 04269 07439 07470 07601 12996 13065 13138 13155 14905 23251

KE0701 D U 07601 14417 23251

KE0701 D N 13138

KE0702 P U 01091 02314 11733 16695

KE0702 P N 03549 03760 04220 07439 07601 11735 13138 13155 14649 18394 19474

108
Table 19. Literature references for individual property correlations —Continued

KE0702 P N 19842 20779 21544

KE0702 D U 07470 11733

KE0702 D N 00182 04220 04269 04703 07439 07601 12628 13138 13155 22773 23251

KE0710 P U 13799

KE0720 P U 01361 07406 13799

KE0720 P N 03069 08161 08181 10472 10483 13065 13155 14649 19474

KE0720 D U 10483 13155

KE0720 D N 01360 10472 13065 22773

KE0725 D U 00182 13846

KE0730 D U 13839

KE0735 D u 13839

KE0740 P u 18654 40284

KE0740 P N 09874 09923 14204 14618 21544

KE0740 D U 40284

KE0740 D N 09923 18654

KE0745 D U 09862 09923 14219

KE0745 D N 10707

KE0746 D U 09923 14219

KE0746 D N 09862 14380

KE0747 D U 01990 09862 09923 10707 14219

KE0747 D N 14380

KE0760 D U 14192

KE0800 P U 05842 09712 15791 18439

KE0800 P N 05736 05846 07439 07448 12996 18392 18716 19474 21283 21544

KE0800 D U 05736 05846 07470 19380 40489

KE0800 D N 05842 07439 07449 09712 12996 18439 22773

KE0801 P U 13138 14417 18439

KE0801 P N 07570

KE0801 D U 13138 14417

KE0801 D N 18439

KE0802 P U 18439

KE0802 P N 13138

KE0802 D U 13138

KE0802 D N 18439

KE0810 P U 13799

KE0830 P U 13799

KE0850 P U 01146

KE0850 P N 07301 19474 23310

KE0850 D U 21602

KE0870 P U 13799

KE0870 P N 08193

KE0890 P U 40284

KE0890 P N 09874 14712 18654

KE0890 D U 40284

KE0910 P U 09717

KE0910 D U 09717

KE0930 D U 13846

KE0950 P U 01176 02475 04651 05772 10722 11049 18392 20809

KE0950 P N 03023 04217 07449 08193 10579 14417 14464 14697 15698 17061

KE0950 D U 02475 07372 11049 12707 14417 15698 17061 20809 40489 40688

KE0950 D N 00182 04269 04569 07449 13407 13566 19928

109
Table 19.

individual

KE0980 P U

KE0980 D U

KEIOOO P U

KEIOOO P N

KEIOOO D U

KEIOOO D N

KElOOl D U

KE1002 0 U

KE1003 P U

KE1003 P N

KE1003 D U

KE1003 D N

KE1020 P U

KE1020 P N

KE1020 D U

KE1020 D N

KE1040 D U

KE1060 P U

KEllOO P U

KEllOO P N

KE1150 D U

KE1150 D N

KE1180 P U

KE1180 P N

KE1180 D U

KE1180 D N

KE1181 D U

KE1181 D N

KE1200 P U

KE1200 P N

KE1250 D U

KE1250 D N

KE1320 D U

KE1350 D U

KE1360 D U

KE1400 D U

KE1401 D U

KE1403 D U

KE1403 D N

KE1500 P U

KE1500 P N

KE1530 D U

KE1530 D N

KE1550 D U

KE1580 D U

KE1600 P U

KE1600 P N

KE1620 P U

KE1620 P N

KE1620 D U

KE1640 D U

Literature references for

property correlations—Continued

01361

01360

05736

06109

09712

05736

14417

13138

10318

01711

01091

01631

05775

01856

05775

41661

21602

13799

18654

09874

14195

20774

01361

05988

14417

00182

14417

18601

06619

13438

00182

05988

06921

14195

14195

09712

14417

13138

07296

18654

09874

13811

10887

06837

09923

06619

01856

21109

03513

12455

06237

12038

09712 14417

12038

14417

03549 13138 14417 14649

13138 14417

11733

07439 21283

07439

22408

03396 18395

07288 13438 14417

01360 03512 13407 40489

40688 41319

14453

14464 18717 21283 22680

21072

14382

14204

19474 21283

21948

05143 05865

20930

110
Table 19. Literature references for

individual property correlations-r-Continued

KE1660 D U 20809

KE1680 D U 20809

KE1700 P U 06619

KE1700 P N 07198 18395 19474

KE1720 P U 08739 15685

KE1750 D U 05988 14417 40489

KE1750 D N 07449 13407

KE1760 D U 14417

KE1762 D U 14417 40688

KE1762 D N 18601

KE1800 P U 13305

KE1820 P U 10983

KE1821 P U 10983

KE1860 D U 13839

KE1900 P U 11006

KE1901 P U 11006

KE2000 D U 14195

KE2100 P U 10318 12038

KE2100 P N 05746 08131 08465

KE2100 D U 10483 12038

KE2100 D N 08465 09712 14417

KE2104 P U 10318 13138

KE2104 P N 14003 14417 14649

KE2104 D U 13138 14417

KE2104 D N 22773

KE2120 P U 40284

KE2120 P N 18654

KE2120 D U 40284

KE2120 D N 18654

KE2130 D U 14195

KE2150 D U 06711 13407 40489

KE2155 D U 14417

KE2170 D U 05988

KE2190 D U 14195

KE2225 P U 40284

KE2225 P N 18654

KE2225 D U 40284

KE2235 D U 06837

KE2250 D u 06711

KE2250 D N 13407 18400

KE2260 D U 14713

KE2261 P U 04651

KE2300 P U 10318 12038

KE2300 P N 08131 09712

KE2300 D U 12038

KE2300 D N 09712

KE2330 P U 01146 05725 20809

KE2331 P U 05725

KE2350 D U 06711

KE2350 D N 13407

KE2365 P U 01361 04651 06664

111
Table 19. Literature references for individual property correlations—Continued

KE2365 P N 05725

KE2365 D U 00182

KE2365 D N 05990

KE2380 D U 14713

KE2430 D U 14192

KE2445 D u 14713

KE2460 P u 06817

KE2460 D u 20318

KE2473 P u 11052

KE2474 P u 10550

KE2477 P u 10550

KE2506 P u 10318

KE2506 P N 05736

KE2506 D u 14905

KE2540 D u 06711

KE2540 D N 13407

KE2545 P u 13834

KE2545 P N 08166

KE2565 D U 14713

KE2630 D U 14195

KE2645 D u 14713

KE2680 D u 14195

KE2685 D u 14195

KE2688 D u 14195

KE2707 D u 14905

KE2745 D u 14195

KE2755 D u 14713

KE2775 P u 11052

KE2835 D u 06711

KE2845 D u 14713

KE3050 D u 06711

KE3310 D u 19014

KE3350 P u 08226

KE3350 P N 06753

KE3350 D u 08125

KE3712 D u 19014

KE4114 D u 08125

KE4114 D N 19014

08227 15340 15341 15698 17342 19962 20007 20318 20811

20318

07372 07919 15698

17342

08131

19014

112
Table 20. Citations for literature documents

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72. Loiseleur, H. , Merlin, J.-C., Paris, R. A., J. Chim. Phys.

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129. Haywood, J. K. , J. Phys. Chem., 3, 317 (1899).

130. Haywood, J. K. , J. Amer. Chem. Soc., n, 994 (1899).

138. Hubbard, J. C., Phys. Rev., 740 (1910).

145. Krchma, I. J. , Williams, J. W. , J. Amer. Chem. Soc., 2408

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182. Perkin, W. H. , J. Chem. Soc., London, Trans., 69^, 1025 (1896).

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241. Donald, M. B. , Ridgway, K. , J. App. Chem., 8, 403 (1958).

288. Jaya Rama Rao, G. , Dakshinamurty , P. , Venkata Rao, C., J. Sci.

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307. Swami, D. R. , Kumarkrishna Rao, V. N., Narasinga Rao, M.

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709. Brovm, I., Smith, F., Aust. J. Chem., 10, 423 (1957).

713. Brown, I., Fock, W. , Aust. J. Chem., 8, 361 (1955).

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750. Kyle, B. G., Reed, T. M. , III., J. Amer. Chem. Soc., 80, 6170

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762. Amaya, K. , Bull. Chem. Soc. Jap., 1271 (1961).

777. Brown, I., Smith, F., Aust. J. Chem., 15, 9 (1962).

838. Riedel, L. , Chem. - Ing. - Tech., 26, 83 (1954).

852. Winnick, J. , Powers, J. E., AIChE J. , 12, 460 (1966).

862. Harris, H. G. , Prausnitz, J. M. , AIChE J. , H, 737 (1968).

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1005. Swami, D. R., Kumarkrishna Rao, V. N. , Narasinga Rao, M.

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Table 20. Citations for literature documents —Continued

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Table 20. Citations for literature documents—Continued

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161
NBS-114A (REV. 2 -eo) U.S. DEPT. OF COMM. 1. PUBLICATION OR 2. Performing Organ. Report No. 3. Publication Date BIBLIOGRAPHIC DATA

REPORT NO. * SHEET (See instructions) NBSIR 84-2811 January 1984

4. TITLE AND SUBTITLE

Definition of Recommended Values of Certain Thermodynamic Properties for the Ketones

5. AUTHOR(S)

Buford Do Smith and 01 Muthu

6. PERFORMING ORGANIZATION (If joint or other than NBS, see instructions)

NATIONAL BUREAU OF STANDARDS

DEPARTMENT OF COMMERCE

WASHINGTON, D.C. 20234

7. Contract/Grant No.

8 . Type of Report & Period Covered

9.

SPONSORING ORGANIZATION NAME AND COMPLETE ADDRESS (Street, City, Stole, ZIP)

10.

SUPPLEMENTARY NOTES

I I Document describes a computer program; SF-185, FIPS Software Summary, is attached.

11.

ABSTRACT (A 200-word or less factual summary of most significant information. If document Includes a significant

bibliography or literature survey, mention it here)

Experimental data for the vapor pressure, liquid density, second virial coefficient,

and certain compound constants for the ketones were retrieved in a comprehensive sweep

of the literature. The vapor pressure and liquid density data were subjected to an intensive selection-deletion process to identify the best available experimental data

points for each compound. Those data were carefully correlated with reliable equations

in order to put the selected data into a form convenient for use in computer data banks

The second virial coefficient data were not subjected to such an intensive evaluation

process; that predictive correlation equation which provided the best overall representation of the literature data sets for each compound was chosen for use in the data

bank. Values of the compound constants were selected subject to the requirement that

those constants related to the vapor pressure and liquid density be consistent with the

selected correlations for those properties. Whenever possible, the parameters for the

best available equations of state are provided. The correlation equations can be used

to provide tabulations of vapor pressure, saturated liquid density, second virial co- efficients, heat of vaporization, and saturated vapor volume to the extent permitted by

the available good experimental data.

12. KEY WORDS (Six to twelve entries; alphabetical order; capitalize only proper names; and separate key words by semicolons)

Critical properties; data evaluation; equation of state; ketones; liquid density;

literature retrieval; melting point; normal boiling point; property correlation;

second virial r.npffirient; selected data; vapor pressure

13. AVAILABILITY

I 1 Unlimited

I I For Official Distribution. Do Not Release to NTIS

Order From Superintendent of Documents, U.S. Government Printing Office, Washington, D.C.

20402.

Order From National Technical Information Service (NTIS), Springfield, VA. 22161

14. NO. OF

PRINTED PAGES

168

15. Price

USCOMM-DC 6043-P60