NATL INST. OF STAND & TECH R I.C, N»ST

PUBLiCATlONS

AlllDS M7bTEl

Nisr United States Department of Commerce

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National Institute of Standards and Technology

NIST Special Publication 928

Review of Methods and Measurements of Selected Hydrophobic

Organic Contaminant Aqueous Solubilities, Vapor Pressures,

and Air-Water Partition Coefficients

Holly A. Bamford, Joel E. Bakery and Dianne L. Poster

QC

100

U57

NO. 928

1998
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'At Boulder. CO 80303. ^Some elements at Boulder, CO.
NIST Special Publication 928

Review of Methods and Measurements of Selected Hydrophobic

Organic Contaminant Aqueous Solubilities^ Vapor Pressures,

and Air-Water Partition Coefficients

Holly A. Bamford

Joel E. Baker

Center for Environmental Science

Chesapeake Biological Laboratory

The University of Maryland System

Solomons, MD 20688

and

Dianne L. Poster

Analytical Chemistry Division

Chemical Science and Technology Laboratory

National Institute of Standards and Technology

Gaithersburg, MD 20899-0001

March 1998

U.S. Department of Commerce

William M. Daley, Secretary

Technology Administration

Gary R. Bachula, Acting Under Secretary for Technology

National Institute of Standards and Technology

Raymond G. Kammer, Director
National Institute of Standards U.S. Government Printing Office

and Technology , Washington: 1998

Special Publication 928

Natl. Inst. Stand. Technol.

Spec. Publ. 928

101 pages (Mar. 1998)

CODEN: NSPUE2

For sale by the Superintendent

of Documents

U.S. Government Printing Office

Washington, DC 20402
TABLE OF CONTENTS

LISTOFnGURES v ABSTRACT vi

1. INTRODUCTION 1 1.1 Objective of this review 1

2. PHYSICAL AND CHEMICAL PROPERTIES 3

2. 1 Aqueous solubility 3

2.2 Vapor pressure 4

2.3 Henry's law constant 4

2.4 Additional information 8

3. TEXT BIBLIOGRAPHY 10

4. DATA TABLES 13

Table 1. Method identification numbers 14

Table 1 .a. Identification numbers for aqueous solubility methods of

determination 15

Table 1 .b. Identification numbers for vapor pressure methods of determination

15

Table I.e. Identification numbers for Henry's law constant methods of

determination 16

Table 2. Physical constant data for polycyclic aromatic hydrocarbons (PAHs) 17

Table 2. a. Aqueous solubility data, PAHs 18

Table 2.b. Vapor pressure data, PAHs 26

Table 2.c. Henry's law constant data, PAHs 28

Table 3. Physical constant data for chlorinated aliphatics 32

Table 3. a. Henry's law constant data, chlorinated aliphatics 33

Table 4. Physical constant data for polychlorinated biphenyls (PCBs) 36

Table 4. a. Aqueous solubility data, PCBs 37

Table 4.b. Vapor pressure data, PCBs 48

Table 4.c. Henry's law constant data, PCBs 53

Table 5. Physical constant data for chlorinated benzenes 60

Table 5. a. Aqueous solubility data, chlorinated benzenes 61

Table 5.b. Vapor pressure data, chlorinated benzenes 61

Table 5. c. Henry's law constant data, chlorinated benzenes 61

Table 6. Physical constant data for polychlorinated dibenzo-/?-dioxins 64

Table 6.a. Aqueous solubility data, polychlorinated dibenzo-p-dioxins 65

Table 6.b. Vapor pressure data, polychlorinated dibenzo-p-dioxins 66

Table 6.c. Henry's law constant data, polychlorinated dibenzo-p-dioxins 66

iii
Table 7. Physical constant data for polychlorinated dibenzofurans 67

Table 7. a. Aqueous solubility data, polychlorinated dibenzofurans 68

Table 7.b. Vapor pressure data, polychlorinated dibenzofurans 68

Table 8. Physical constant data for agrochemicals 79

Table 8. a. Aqueous solubility data, agrochemicals 80

Table 8.b. Vapor pressure data, agrochemicals 82

Table 8.c. Henry's law constant data, agrochemicals 85

5. REFERENCES 90

5.1 Cited references 90

5.2 Reviewed references 92

iv
LIST OF FIGURES

Figure 1. Schematic of a gas stripping apparatus for measuring Henry's law constants

(Mackay et al., 1979; Adapted from Ashworth et al., 1988) 5

Figure 2. Schematic diagram of the wetted-wall column system by Fendinger and Glotfelty

(1988) 6

Figure 3. Diagram of fog chamber developed and used for determinations of pesticide

Henry's law constants by Fendinger et al. (1989) 7

Figure 4. Dynamic headspace gas-partitioning apparatus developed and used by Yin and

Hassett (1986) to measure fugacity and freely dissolved mirex in water 7

Figure 5. Number of compounds with data reported in Tables 1-8 8
ABSTRACT

Aqueous solubilities, vapor pressures, and Henry's law constants for a wide range of organic

contaminants of environmental interest are presented. Specifically, a discussion of methods used

to measure these physical constants and resulting measurements are provided in an effort to examine

the scope of physical constants reported in the scientific literature. Physical constants reviewed

include those for 40 PAHs, 14 chlorinated aliphatics, 149 PCBs, 12 chlorinated benzenes, 16

dioxins, 63 furans, and 29 agrochemicals = 323 compounds) and overall a total of 1605 values

are listed. These data were compiled to initiate the incorporation of physical constant literature

values of these compounds into the National Institute of Standards and Technology's (NIST)

Chemical and Science Technology Laboratory (CSTL) database program.

Key Words: air-water partitioning, aqueous solubility, Henry's law constants, organic contaminants,

vapor pressure

vi
1. INTRODUCTION

A wide range of industrially synthesized organic contaminants are measurable in the environment

by current sampling and analytical chemistry methods and are of environmental concern. Many of

these compounds persist and migrate within and between local, regional, and even global

environmental compartments for long periods of time. In addition, many have a tendency to bioaccumulate in aquatic or terrestrial food chains, exhibit toxicity at minute levels, and are probable human carcinogens. Polychlorinated biphenyl congeners (PCBs) and polychlorinated

dibenzofurans and polychlorinated dibenzo-/?-dioxins ("dioxins") are familiar examples, which are widely known to be linked with fish consumption advisories in areas such as the Great Lakes. Notso-familiar examples are polycyclic aromatic compounds which include as a subgroup polycyclic

aromatic hydrocarbons (PAHs). Many PAHs are highly persistent in the environment and are potent

cancer-causing and mutagenic agents; benzo[a]pyrene is an example. Other examples include

agricultural chemicals (pesticides, herbicides, and fungicides) that exhibit various degrees of

persistence in the environment.

PCBs are a class of chlorinated compounds that were widely used in industrial applications such as

electrical insulation. PCBs were produced in the United States from 1929 until about 1978 when

concern over adverse environmental effects led to a ban on their manufacture under the Toxic

Substances Control Act of 1976 (TSCA) (Woodyard and King, 1992). However, during this period

world production of PCBs was approximately 1.5 million metric tons with about 650,000 metric tons generated in the United States (De Voogt and Brinkman, 1989). It has been estimated that 20 percent

to 30 percent of this amount entered the environment as contamination (Webster and Commoner,

1994). Approximately 200,000 metric tons of PCBs are still in use in the United States in capacitors,

transformers, and other electrical equipment (Amend and Lederman, 1992).

Anthropogenic dioxins, dibenzofurans, and PAHs exist in the environment due to current-uses of

materials related to the production of these compounds. Dioxins are by-products of combustion of

chlorine laden organic material and of chlorine bleaching in paper industries and dibenzofurans are produced by numerous combustion processes (Hites, 1990; Brzuzy and Hites, 1996). Similarly,

PAHs are by-products of the burning of organic materials such as fossil fuels, refuse, and wood.

Natural sources of combustion, such as forest fires and volcanos, and biosynthesis (sediment

diagenesis, tar pits) also produce PAHs but these are minor relative to anthropogenic sources (Meyers and Hites, 1982; Bj0rseth and Ramdahl, 1985).

The global use and widespread detection of agricultural chemicals in the environment have increased

significantly over the last several decades (Montgomery 1993 and references within). Many heavily

used compounds exhibit environmental residence times long enough to adversely impact soils,

groundwater, aquatic ecosystems, and to some extent air quality. Obvious sources of these

compounds include agricultural farming operations and commercial and residential landscaping

practices. Not-so-obvious sources include non-point source areas and fugitive emissions.

1.1 Objective of this review. The environmental transport (migration) and fate (persistence) of

organic contaminants and their tendency to bioaccumulate and exhibit toxicity are significantly

1
influenced by their chemical and physical properties. In order to fully understand local, regional, and

global environmental pollution and their relation to human and environmental ecosystem health

effects associated with exposure to organic contaminants, reliable organic contaminant chemical and

physical property data are essential (Mackay et al., 1992). Unfortunately, gathering accurate

organic contaminant physical property data is often difficult. Physical constant values reported in

scientific papers as results from experimental measurements often vary by several orders of

magnitude. Moreover, many different types of methods are used to obtain measurements and it is unclear if the lack of precision for reported values is related somehow to the wide range of methods

used. This report provides a discussion of methods used to measure physical constants of organic

environmental contaminants and measurements of physical constants from these methods are provided in an effort to examine the scope of physical constants reported in the scientific literature.

Physical constants reviewed include aqueous solubility, vapor pressure, and Henry's law constants

(air-water partition coefficients) for 40 PAHs, 14 chlorinated aliphatics, 149 PCBs, 12 chlorinated

benzenes, 16 dioxins, 63 furans, and 29 agrochemicals (Y, = 323 compounds). A total of 1605 values

are given in this report. These data were compiled to initiate the incorporation of physical constant

literature values of these compounds into the National Institute of Standards and Technology's

(NIST) Chemical and Science Technology Laboratory (CSTL) database program. Specifically,

methods and values are presented. As this report is focused on a review and discussion of the

methods and currently available measured physical/chemical property data for organic contaminants

of environmental concern, specification of discrete values to include in NIST's CSTL database

program is deferred until evaluation of the current data is complete. In particular, results from

studies currently in progress which are designed to develop estimation methods based upon

molecular properties of the compounds in order to critically evaluate the current review of physical

property data of organic contaminants will be used for this task. Our intent is to evaluate much of

the current data using measurement data as a baseline to recommend values for the NIST database

program. As demonstrated by the range of the values reported here, critical evaluation of these data

is necessary to facilitate accurate use. Values span several orders of magnitude and users are left with their own intuition as to which literature value to use for their application. Several orders of

magnitude can alter environmental fate assessments of chemicals, sometimes drastically. Hence, our aim is to critically evaluate much of the data reported here using our measurement data so best

possible values may be recommended for inclusion in the database program described above. Other

approaches for evaluating the physicochemical property values reported here may also be considered.

For example. Heller et al. (1994) recendy developed an expert system for evaluating the efficacy of

reported methodology for determining aqueous solubility. In this work, the basic philosophy is that

sound methods provide "good" data and Heller et al. developed a system for the evaluation of

measured physicochemical property values using this concept. A method such as this may be

considered for evaluating the current data set. A recently published review by Mackay et al. (1992) provides a large collection of physical-chemical

properties and a review of the environmental fate for organic chemicals. In addition, Mackay et al. (1992) provide a detailed discussion on the current state of quantitative structure-property

relationships (QSPR). Estimates of physical properties calculated using correlative or quantitative

structure-property relationships are not included in this report. This is a fast-growing area of

2
research directed to the development of relationships which describe physical-chemical properties

of environmental concern based on a compound's chemical structure. The paucity of directly

measured values has fueled the growth of this research field. Yalkowsky (1993) offer a comparative

evaluation of methods available for the estimation of the aqueous solubility of complex organic

compounds including PAHs, aliphatic alcohols, monosubsitituted benzenes, monofunctional

aliphatics, and agrochemicals, such as malathion, chlorpyrifos, and chlordane. Sutter and Jurs (1996)

offer a more recent look at aqueous solubility predictions for 140 organic compounds.

Reported values in the present work are largely from searches of articles listed by Mackay et al. (1992) and Staudinger and Roberts (1996), as well as data reported by Montgomery (1993).

Methods used to measure physical constants of agrochemicals were not specifically reported by

Montgomery (1993) and as a result are not listed here. The years of literature reviewed by Mackay

et al. (1992) range from 1931 to the time of publication. A review of more recently published

physical property measurement work relative to Mackay et al. (1992), Staudinger and Roberts

(1996), and Montgomery (1993) was conducted for the current work. In particular, articles listed

in Water Resources Abstracts (ca. 1980 - present), Current Contents (1980 - 1995) and Science

Citation Index (1994 - 1997) were reviewed. A total of 135 articles were reviewed. Reported

physical constants and the methods used to derive these are presented. Many of the 135 articles did

not contain original physical property data. Rather, data was taken from the original papers that

described the measurement work. Section 5.1. lists references that contain physical property data

resulting from measurement work and these were used as sources for the data listed in Tables 2-8,

with the exception of the agrochemical data given by Montgomery (1993) which are listed here

without specific methods of measurement. Papers that listed, used, or propagated measurement data

are listed in Section 5.2, although data reported in these papers were not extracted and included in

Tables 2-8.

2. PHYSICAL AND CHEMICAL PROPERTIES

2.1 Aqueous solubility. During this work, it was found that aqueous solubility (mg/L)

measurements, the concentration of a substance's saturated solution at a given temperature and

pressure, were generally listed as either the result of an equilibration method of measurement or as the result of an analytical method of determination. Hence, in the aqueous solubility physical

constant table solubility methods are identified by two numbers, the first being the method of

equilibration followed by the method of instrumental determination. Calculated data, however,

{e.g., calculated from a fit of the parameter to a function of a variable such as temperature) is also

provided and in this case there is only one number listed for the method identification (Method ID).

Estimation of the aqueous solubilities of organic compounds are given by Yalkowsky and Valvani

(1979) and more recently, Yalkowsky (1993).

Two common methods of equilibration include the shake flask method, in which an excess amount

of solute chemical is added to water and then shaken gently or stirred on a stirring plate until

equilibrium is achieved (Booth and Everson, 1948, Mackay et al., 1992), and the generator column

method, in which an inert solid support (e.g., glass beads) is coated with the analyte, packed in an open tubular column, and water is run through at a precise flow rate to achieve equilibrium. It has

3
been generally accepted that the generation column method is the most accurate technique of

solubility determination for sparingly soluble solid hydrophobic compounds as described by May

et al. (1978 a,b). Danielsson and Zhang (1996) provide a short overview of these methods in terms

of working principles, although their discussion is on the determination of «-octanol-water partition

constants rather than aqueous solubility.

Methods of instrumental determination of the saturated solution and several historical references to these include (Mackay et al., 1992): ultraviolet spectrometry (Andrews and Keffer, 1950a,b; Bohon

and Claussen 1951), gas chromatography (McAuliffe 1966), fluorescence spectrophotometry

(Mackay and Shiu, 1977), interferometry (Gross and Saylor, 1931), liquid chromatography (May et

al., 1978a,b), and nephelometric methods (Davis and Parke, 1942; Davis et al., 1942; Hollifield

1979). Wauchope and Getzen (1972) document the temperature dependence of solubility for several

PAHs. Table 1 .a. provides a listing of the identification numbers for the aqueous solubility methods

of determination that are given in Tables 2-8.

2.2 Vapor pressure. Like aqueous solubility, the vapor pressure (Pa) of a compound, the pressure

exerted by a vapor in dynamic equilibrium with its liquid at a given temperature, is a "saturation"

property. Unlike aqueous solubility, vapor pressure measurements can be made directly through the use of a pressure gauge {e.g., a diaphragm gauge), or by indirect methods based on evaporation rate measurements or chromatographic retention times. Common methods for measurement and

historical references of vapor pressure are (Mackay et al., 1992): calculated (from boiling points - Mackay et al., 1982), pressure gauge (Sears and Hopke, 1947; Ambrose et al., 1975; Osbom and

Douslin, 1975), comparative ebulliometry (Ambrose 1981), effusion (Balson, 1947), gas saturation or transpiration (Spencer and Cliath, 1970), liquid chromatography (Sonnefeld et al., 1983), and

capillary gas chromatography (Hamilton 1980; Bidleman 1984). Estimation methods for PCBs are presented by Burkhard et al. (1985). Table l.b provides a listing of identification numbers for vapor

pressure methods of determination. The last column in the vapor pressure physical constant tables,

titled "phase", indicates what phase or state the solute was in during the experimental determination

of its vapor pressure. For example, many measurements of vapor pressure are for supercooled liquid

compounds.

2.3 Henry's law constant. The Henry's law constant is the air-water equilibrium partition

coefficient for compounds in dilute aqueous solutions. It is defined as the ratio of the concentration

in the gas phase to the concentration in the dissolved phase. As an equilibrium constant, the Henry's

law constant is a key parameter with respect to a compound's fate and transport in the environment

by providing estimates of air-water partitioning. Air-water partitioning in the enviomment can be on a small scale {e.g., partitioning of atmospheric gases to raindrops) or on a large scale {e.g.,

partitioning of atmospheric gases to surface waters).

Henry's law constants can be presented in various ways based on different sets of associated units.

Henry's law constants are typically reported as H = Pi / Cw where Pi is the partial pressure of the

compound (Pa), Cw is the compound dissolved concentration in water (mol / m^), and H is in units

of Pa m^ / mol. It is also found in a "dimensionless" form which is expressed as H' = (Pi / Cw)/{RT)

where R is the ideal gas constant (8.3 14 Pa mV mole K) and T is temperature (K). Hence, to convert

4
a reported "dimensionless" H' value to units of

Pa / mol one can multiply H' by RT. We

report Henry's law constants in units of Pa

mVmol.

Like vapor pressure, the Henr}''s law constant

requires only one method of measurement to obtain data for each compound; however, it is more difficult to determine because it is derived

from concentration measurements made in two

different phases, air and water. Therefore, many

methods have been developed that take

measurements from one phase and by mass

balance the concentration of the solute in the

other phase is determined. Currently, methods of

determination for the Henry's law constant are

calculated, gas stripping, equilibrium partitioning

in closed system (EPICS), wetted-wall column,

and the variable headspace method (Table l.c).

Atr Supply

PresaiUfaior

Figure 1. General schematic of a gas stripping

apparatus for measuring Henry's law constants

(Mackay et al., 1979; Adapted from Ashworth

et al., 1988).

Calculated methods for the determination of a compound's Henry's law constant involve the use of either calculated or measured vapor pressure

and aqueous solubility data. Other calculated methods include the use of structure relationships but

these are commonly constrained by temperature limitations. Computer models, making use of a compound's structure and bonding to help determine its Henry's law constant, have also been

developed and used (Nirmalakhandan and Spreece, 1988; Russell et al., 1992; Staudinger and

Roberts, 1996), but are also variable limited in terms of environmental parameters such as temperature, salinity, and pressure.

There are generally two approaches for the direct determination of a compound's Henry's law

constant. One is the dynamic equilibrium approach and the other is the static equilibrium approach.

The dynamic equilibrium approach employs a particular equilibrium air-water partitioning technique.

Examples are gas stripping and concurrent flow methods. The gas stripping technique, first developed by Mackay et al. (1979), can be used to determine a compound's Henry's law constant

through the measurement of the rate loss of a compound from water to air by stripping it from the

water phase with a gas using a bubble column apparatus (fig. 1). Other workers have recently

employed this technique for the determination of Henry's law constants for a wide range of

environmental organic pollutants (Ashworth et al., 1988; Kucklick et al., 1991; ten Hulscher et al., 1992; Alaee, 1996). Hassett and Millicic (1985) and Yin and Hassett (1986) have developed a

similar system for measuring Henry's law constants in natural waters.

The concurrent flow technique, also called the "wetted-wall" technique, uses a vertical column to equilibrate an organic solute between a thin layer of water and a concurrent flow of gas (Fendinger

5
and Glotfelty, 1988, 1990; Brunner et al., 1990;

Meylan and Howard, 1991; Rice et al., 1997, fig.

2). Fendinger and Glotfelty (1988) demonstrated

that the wetted-wall technique yielded more reliable

Henry's law constants than can be calculated from

published vapor pressure and solubility data.

Briefly, the concentration of the solute is determined in both the gas and aqueous phase and

the Henry's law constant is calculated as the

dimensionless ratio of these concentrations.

An alternative air-water equilibrium approach for

determining air- water Henry's law constants

involves the use of a fog chamber (fig. 3). Airwater equilibrium of a compound is obtained with

the fog chamber by aspirating water laden with

solute into one end of a glass chamber and

collecting droplets either via drain or in cyclone

collectors at the other end of the chamber

(Fendinger et al., 1989). This apparatus was

designed to measure Henry's law constants at a

greater sensitivity than achieved with the wettedwall technique and to provide independent

confirmation of Henry's law constants obtained

with the wetted-wall technique. A comparison of

Henry's law constants measured with the wettedFigure 2. Schematic diagram of the wettedwall column system by Fendinger and

Glotfelty, 1988. System components are (A)

valveless metering pumps, (B) impinger to saturate incoming air with water, (C)

Chromosorb 102 vapor trap, (D) air outlet to bubble flow meter, (E) solid-phase extraction

cartridge, (F) optional analyte vapor source, and (G) wetted-wall column (exploded view

of wetted-wall column to the right).

wall technique and fog chamber was presented by

Fendinger et al. (1989). Differences between Henry's law constants determined by the two

techniques for six pesticides were less than 30 percent.

For the static equilibrium approach, air-water partitioning of a compound is determined under

equilibrium conditions in a closed system (equilibrium partitioning in closed system: EPICS). Equal

amounts of a compound are placed into different bottles containing variable gas-to-water ratios and

the Henry's law constant is calculated from the measurement of the concentration ratio (Lincoff and

Gossett, 1984; Gossett, 1987; Tancrede and Yanagisawa, 1990; Dewulf et al., 1995). An

altemative static equilibrium approach is the dynamic headspace technique (Yin and Hassett, 1986;

Robbins, 1993; Hansen et al., 1993) (fig. 4). This technique does not require the exact concentration

of the compound to be known but rather the equilibrium headspace peak areas are measured by gas

chromatography from bottles containing different headspace-to-liquid volume ratios. Using a plot

of these data gives the Henry's law constant and valid results can be generated by analyzing a wide

range of headspace-to-liquid volume ratios. This method is most satisfactory for compounds with

Henry's law constants greater than 100 Pa mVmol, These compounds are highly volatile and are expected to be lost rapidly to the gas phase. For compounds with Henry's law constants in the range

of 25 Pa mVmol to 100 Pa mVmol, head space analysis is still possible but extensive purging may

6
Chwtor Vent

Figure 3. Diagram of fog chamber developed and used for

determinations of pesticide Henry's law constants by

Fendingeret al. (1989).

be required since volatilization is not very rapid. Head space analysis is rarely feasible for

compounds with Henry's law constants less than 25 Pa m^ / mol (Suntio et al., 1988). Henry's law

constants for organic compounds of environmental concern are strongly influenced by a variety of

environmental parameters, most importantly temperature. A change in 10 °C can lead to almost a doubling of the Henry's law constants for PAHs (Alaee et al., 1996). However, the influence of pH,

compound hydration and concentration, and the presence of complex mixtures, dissolved salts.

Figure 4. Dynamic headspace gas-partitioning apparatus

developed and used by Yin and Hassett (1986) to measure

fugacity and freely dissolved mirex in water.

7
suspended solids, dissolved organic matter, and surfactants can also have an influence on a compounds Henry's law constant and the evaluation of this influence remains severely limited.

Staudinger and Roberts (1996) review these effects extensively for a wide range of chemicals,

including carboxylic acids, alcohols, phenols, and thiols. We are currently investigating the effects

of temperature on the Henry's law constant for PAHs and will use these data to critically evaluate

much of the currently reviewed data.

2.4 Additional information. Physical constant data for a variety of temperatures are reported in

the literature. As physical/chemical property data for organic solutes are typically temperature

dependent, the temperature at which a measurement was made is listed for each compound (when

available) in the physical constant data tables (Tables 2-8). In addition, if the compound was in a phase other than liquid, it is noted in the last column of each table. Units for aqueous solubility,

vapor pressure, and Henry's law constant data are mg/L, Pa, and Pa mVmol, respectively.

k^ith

Data 140^

120^ >

(A oC100^

13O 80^

)f

Comf 60^

o

40^

E

z

20^

0-

Figure 5. Number of compounds with data reported in Tables 2-8.

Chemical groups, such as PAHs, are listed and include within them

individual compounds, such as benzo[a]pyrene. See Tables 2-8 for a

listing of all compounds within a group. Sw, Vp, and HLC represent

aqueous solubility, vapor pressure, and Henry's law constant,

respectively.

8
upon examination of the data in Tables 2-8, it is evident that there is a lack of data for a wide range

of compounds within the chemical groups reviewed. For example, there is a large amount of data

reported for PCBs but significantly less for other classes of compounds such as PAHs (fig. 5). In general, chemical groups that have a large number of compounds in which physical properties have

been determined are those that have physical properties that are less difficult to measure by current

analytical techniques. For example, many PCBs are very volatile and this enables vapor pressure

measurements to be made with little difficulty. In contrast, many of the compounds within the

chemical groups listed in Figure 5 are hydrophobic, thereby making measurements of their solubility

and Henry's law constant difficult. However, there are also a larger number of individual PCB

congeners within the chemical group "PCBs" relative to other types of compounds, such as PAHs.

Also, several of the chemical groups, such as PAHs, dioxins, and furans, have received little attention in terms of environmental fate and toxicological studies until recently. Hence, the physical

properties necessary for understanding the environmental fate of these compounds have not been

extensively studied. Despite the paucity of physical property data, which are strongly needed for the

accurate assessment of the environment fate of these compounds, researchers often use data from

a class of compounds other than that being investigated to use for their application, usually via an

estimation or modeling exercise. For example, directly measured Henry's law constants as a function of temperature are not available for many PAHs but temperature dependent Henry's law

constants have been estimated using a relationship that describes the temperature dependence of PCB

Henry's law constants (Baker and Eisenreich, 1990, Tateya et al., 1988). In addition, many physical

property data reported in the literature are the result of measurements or calculations near 25 "C and

unfortunately these conditions are not applicable for many environmental systems since temperature

is one of the most significant factors influencing the environmental fate of organic compounds.

Knowing what effect temperature has on a compound's Henry's law constant will not only assist in accurately characterizing where the compound may accumulate in the environment, but will also

further the exactness of calculating a compound's rate of transfer between and within environmental

compartments (e.g., atmosphere, oceans) (Mackay and Yeun, 1983; Baker and Eisenreich, 1990,

Staudinger and Roberts, 1996, Diamond et al., 1996). Therefore, studies that are designed to address

the effects of temperature on the air-water partitioning of organic compounds are considered

essential for evaluation of the data presented in this report. (

In summary, the data presented in Tables 2-8 are evolutionary in terms of the NIST database

program, largely because our intent is to evaluate the current data set using measurement data as a

baseline so that the best possible values of a wide range of compounds may be recommended for the

NIST database program. In particular, physical property measurements at temperatures other than

20 °C or 25 °C may be useful for critically evaluating the current data set. Results from studies

which are designed to develop estimation methods based upon molecular properties of the

compounds in order to critically evaluate the current review of physical property data of organic

contaminants will be used for this task and these efforts are currently underway.

9
3. TEXT BIBLIOGRAPHY

Alaee, M.; Whittal, R.M.; Strachan, M.J. Chemosphere 1996, 32, 1 153.

Ambrose, 0.7. Chem. Thermodyn. 1981, 13, 1161.

Ambrose, D.; Lawrenson, L.J.; Sprake, C.H.S. J. Chem. Thermodyn. 1975, 7, 1173.

Amend, L.J.; Lederman, P.B. Environ. Prog. 1992, 11, 173.

Andrews, L.J.; Keffer, R.M. J. Am. Chem. Soc. 1950a, 72, 3644.

Andrews, L.J.; Keffer, R.M. J. Am. Chem. Soc. 1950a, 72, 5034.

Ashworth, R.A.; Howe, G.B.; MuUins, M.E.; Rodger, T.N. /. Haz. Mat. 1988, 18, 25.

Baker, J.E.; Eisenreich, S.J. Environ. Sci. Technol. 1990, 24, 342.

Balson, E.W. Trans. Farad. Soc. 1947, 43, 54.

Bidleman, T.R. Anal. Chem. 1984, 56, 2490.

Bj0rseth, A.; Ramdahl, T. Handbook ofPolycyclic Aromatic Hydrocarbons; Marcel Dekker: New York, NY,

1985.

Bohon, R.L.; Claussen, W.F. J. Am. Chem. Soc. 1951, 73, 1571.

Booth, H.S.; Everson, H.E. Ind. Eng. Chem. 1948, 40, 1491.

Brunner, S.; Homung, E.; Santl, H.; Wolff, E.; Piringer, O.G. Environ. Sci. Technol. 1990, 24, 1751.

Brzuzy, L.P.; Kites, R.H. Environ. Sci. Technol. 1996, 30, 1797.

Burkhard, L.P.; Andren, A.W.; Armstrong, D.E. Environ. Sci. Technol. 1985, 19, 500.

Danielsson, L.; Zhang, Y. Trends in Anal. Chem. 1996, 15, 188.

De Voogt, P.; Brinkman, U. In Halogenated Biphenyls, Terphenyls, Naphthalenes, Dibenzodioxins and

Related Products; Kimbrough, R.D., Jensen, A.A., Eds.; Elsevier: Amsterdam, 1989.

Davis, W.W.; Krahl, M.E.; Clowes, G.H. J. Am. Chem. Soc. 1942, 64, 108.

Davis, W.W.; Parke, T.V.Jr. J. Am. Chem. Soc. 1942, 64, 101.

Dewulf, J.; Drijvers, D.; van Langerhove, H. Atmos. Environ. 1995, 29, 323.

Diamond, M.L.; Mackay, D.; Poulton, D.J.; Stride, F.A. Wat. Res. 1996, 30, 405.

10
Fendinger, N.J.; Glotfelty, D.E. Environ. Sci. Technol. 1988, 22, 1289.

Fendinger, N.J.; Glotfelty, D.E.; Freeman, H.P. Environ. Sci. Technol. 1989, 23, 1528.

Fendinger, N.J.; Glotfelty, D.E. Environ. Tox. Chem. 1990, 9, 731.

Gossett, J.M. Environ. Sci. Technol. 1987, 21, 202.

Gross, P.M.; Saylor, J.H. J. Am. Chem. Soc. 1931, 53, 1744.

Hamilton, D.J. /. Chromatogr. 1980, 195, 75.

Hansen, K. C; Zhou, Z.; Yaws, C. L., Aminabhav, T. M. /. Chem. Eng. Data 1993, 38, 546.

Hassett, J.P.; Milicic, E. Environ. Sci. Technol. 1985, 19, 638.

Heller, S.R.; Bigwood, D.W.; May, W.E. J. Chem. Inf. Comput. Sci. 1994, 34, 627.

Hites, R.H. Acc. Chem. Res. 1990, 23, 196.

Hollifield, H.C. Bull. Environ. Contam. Tox. 1979, 23, 579.

Kucklick, J.R.; Hinckley, D.A.; Bidleman, T.F. Mar. Chem. 1991, 34, 197.

Lincoff, A.H.; Gossett, J.M. In Gas Tranter at Water Surfaces; Brusasert, W., Jirka, G.H., Eds.; Dordrecht:

Holland, 1984, pp 17-25.

Mackay, D.; Bobra, A.; Chan, D.W.; Shiu, W.Y. Environ. Sci. Technol. 1982, 16, 645.

Mackay, D.; Shiu, W.Y. J. Chem. Eng. Data 1977, 22, 339.

Mackay, D.; Shiu, W.Y.; Ma, K.C. Illustrated Handbook of Physical-Chemical Properties and

Environmental Eatefor Organic Chemicals; Lewis Publishers, Inc.: Chelsea, MI, 1992.

Mackay, D.; Shiu, W. Y.; Sutherland, R. P. Environ. Sci. Technol. 1979, 13, 333.

Mackay, D.; Yeun, A.T.K. Environ. Sci. Technol. 1983, 17, 211.

May, W.E.; Wasik, S.P.; Freeman, D.H. Anal. Chem. 1978a, 50, 175.

May, W.E.; Wasik, S.P.; Freeman, D.H. Anal. Chem. 1978b, 50, 997.

McAuliffe, C. J. Phys. Chem. 1966, 70, 1267.

Meyers, P.A.; Hites, R.A. Atmos. Environ. 1982, 16, 2169.

Meylan, W. M.; Howard, P. H. Environ. Tox. Chem. 1991, 10, 1283

11
Montgomery, J. Agrochemical Desk Reference Environmental Data; Lewis Publishers, Inc.: Chelsea, MI,

1993.

Nirmalakhanden, N.N.; Spreece, R.E. Environ. Sci. Technol. 1988, 22, 1349.

Osbom, A.G.; Douslin, D.R. J. Chem. Eng. Data 1975, 20, 229.

Rice, CP.; Chemyak, S.M.; McConnell, L.L. J. Agri. Food Chem. 1997, 45, 2291.

Robbins, G. A.; Wang, S.; Stuart, J. D. Anal. Chem. 1993, 65, 3113.

Russell, C.J.; Dixon, S.L.; Jurs, P.C. Anal. Chem. 1992, 64, 1350.

Sears, G.W.; Hopke, E.R. J. Am. Chem. Soc. 1947, 71, 1632.

Sonnefeld, W.J.; Zoller, W.H.; May, W.E. Anal. Chem. 1983, 55, 275.

Spencer, W.F.; Cliath, M.M. J. Agric. Food Chem. 1970, 18, 529.

Staudinger, J.; Roberts, P.V. Critical Reviews in Environ. Sci. Technol. 1996, 26, 205.

Suntio, L.R.; Shiu, W.Y.; Mackay, D.; Seiber, J.N.; Glotfelty, D. Rev. Environ. Contam. Tox. 1988, 103, 1.

Sutter, J.M.; Jurs, P.C. J. Chem. Inf. Comput. Sci. 1996, 36, 100.

Tancrede, M. V.; Yanagisawa, Y. J. AWMA 1990, 40, 1658.

Tateya, S.; Tanabe, S.; Tatsukawa, R. In Toxic Contamination in Large Lakes; Schmidtke, N.W., Ed.; Lewis

Publishers: Chelsea, MI, 1988; pp 237-281.

ten Hulscher, T.E.M.; van der Velde, L.E.; Bruggeman, W.A. Environ. Toxicol. Chem. 1992, 11, 1595.

Wauchope, R.D.; Getzen, F.W. J. Chem. Eng. Data 1972, 17, 38.

Webster, T.; Commoner, B. In Overview of the Dioxin Debate; Schecter, A., Ed.; Plenum: New York, NY,

1994; pp 1-50.

Woodyard, J.P.; King J.J. PCB Management Handbook, 2"^ ed.; Executive Enterprises Publications Co., Inc.: New York, NY, 1992.

Yalkowsky, S.H. Chemosphere 1993, 26, 1239.

Yalkowsky, S.H.; Valvani, S.C. J. Chem. Eng. Data 1979, 24, 127.

Yin, C; Hassett J.P. Environ. Sci. Technol. 1986, 20, 1213.

12
DATA TABLES
Table 1. Method identification numbers

14
Table l.a. Identification numbers for aqueous solubility methods of determination

METHODS OF EOUILIBRTTIM

calculated 1

shake flask 2

thin-layer coating 3

generator column 4

METHODS OF DETERMINATION METHOD IDENTIFICATION

fliinrp^ppTipp ^npptronhntnmptrv <;J

illLCl iCi UlilCLl y O

liquid chromatography 7

nephelometric methods 8

generator column 9

other 10

data handbook, reported 11

Table l.b. Identification numbers for vapor pressure methods of determination

METHOD METHOD IDENTIFICATION NUMBER

calculated 1

pressure gauge 2

comparative ebulliometry 3

effusion methods 4

gas saturation or transpiration methods 5

liquid chromatography 6

capillary gas chromatography 7

data handbook, reported 8

15
Table I.e. Identifleation numbers for Henry's law constant methods of determination.

METHOD METHOD IDENTIFICATION NUMBER

calculated 1

gas stripping 2

EPICS (equilibrium partitioning in closed

system)

3

wetted-wall column 4

variable headspace method 5

other 6

data handbook, reported 7

fog chamber 8

16
Table 2. Physical constant data for polycyclic aromatic hydrocarbons (PAHs)

17
W3 <

0£B

i

.os

3

O

s

H

Phase

1

cs »o r- 1-H NO NO NO NO NO NO NO vO NO NO

Pi

O

CMO o oCOo o(So(Socsocso

csocsocsofSocsocsocsocsocso o O o o o o o o o o o

Valu

.27E- .27E- .75E- .74E- .22E- .23E- ,91E- .90E- ,72E- ,75E- ,34E- ,31E- .42E- .42E- .30E- .50E- .50E- .57E- .59E- .23E- .59E- .14E- .49E- ,88E- ,72E1

00

60E- 80EOOE50EI—

1—

1-H «s <s cs (S f<^ r- cs cs cs NO NO o ON

Temp Uo

<svn o o 14.1 14.1 18.3 18.3 22.4 22.4 24.6 24.6 cs cs cs

in

cs cs

28.7 28.7 35.4 39.3 44.7 47.5 50.1 54.7 59.2 64.5 65.1 69.8 70.7

I.D.

hod >o o >n "n »n to m >n >n in en cn

1-H 1-H cs' cs" cn cS cs' cs" cs' cs' cs' cs' cS of n'

Met

:ular (null cs <s <s ^cs cs CS ^. cs cs cs cs ^. cs cs ^. cs

Ti- cs

Tt

cs

Ti- cs

olec 00

r- 00r- odroc5 r- odr~

00 od

r~

od od

rod od od odrodrod

1^

od

r~- od od od od od od

r~- od od odrod od odr~

od od

Nar

UOUl

Com

:hracene :hracene :hracene :hracene :hracene :hracene :hracene :hracene

ihracene

[hracene

thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene thracene

Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am Am * r- r- r- r~

1 r~1 r1 r1 1 :as

1 1 (S (S cs cs

1 cs1 cs cs

1 cs cs cs cs cs

1 cs cs cs

1

1 cs

1 1 cs1 cs1 1 1

cs

1

cs

1

cs

t o1 O o<s o ors ocs 6

(S

1 o<s1 ocs dcs1 ocs dcs

1 ocs1 ocs d

t ocs dcs1 ocs

1 ocs ocs ocs ocs ocs ocs ocs ocs ocs o ocs ocs

e

1-H VO oo ON o cs CO 00 ON ocs cs

cs

cs

cn

cs cs cs NO r~

cs

00

cs

a\

cs ocn

18
9

13> 8 2 <N cs , 9 o I o

<s

— o ~ O fS

00 ' m

m I m

Q

—

O

OO ' O P o

oo in

PQ : W

WW

O

O CN i O

p , ^ rn 00

fS cs t-^ r<S

O ON

CO vdo o o o o + + + s mo opIT)

a

9i • e H

0\ o

JS

<t Tj- : oo oo

fS CN cs 00 I 00 00 00

r-~ r- <N cs ^ CN <s

n <N

cn c^

CN i CN CN CN

CN CN CN CN ^ ^ in m i in , in ^

DC<

a*

OAEw B

>>

Si©

MlSos

0)SzsoEBo

CO « C ' c coNc

<u m

uBUNC

<u £ c c c c >»

4j luu

D t; J= -C J= J= ^ _aii _D- ,a<, Dh m

PQ ; 03 ; PQ I PQ : s

cs3CQ CN

en CO ro

>n

>n I I VO VO

«nm

CN CN

CO

CN

CNin

m ^ ^ 1 I 1 cs CN CN

m

m in ' I I CN CN CN CN O ON ON On

>n

CN>n

CO 1 rjm in m

19
Phase

*

Ref. cs m CS CS cs CS OO

CS CS OOCS CS 00cs m (S cs r- cs NO NO NO NO NO NO NO

Value 2.00E-03 6.00E-03 1.50E-03 1.40E-04 6.00E-04 5.00E-04 1.20E-02 5.60E-02

8.00E+00 1.14E+01 3.38E+00 2.81E+00

3.00E-H00

2.03E+00 2.00E+00 1.30E+00 1.75E+02 1.07E+01

2.60E-01 2.65E-01 2.40E-01 1.98E+00 1.86E+00

2.37E-H00

2.41E+00 3.53E+00 3.84E+00 5.54E+00 6.32E+00

Temp Uo cs <s cs (S «o

cs cs

rcs mcs»n

cs

<n

cs

«n

cs

V)

cs

«n

cs cs cs «ncs cs cs >ncs mcs cs cs

24.6 29.9 30.3 38.4 40.1 47.5 50.1

thod

I.D.

cs" >nts' ocs' >o o ocs' cs' cs' cs' NOcs' cs' NOcs' cs' NOcs' »ncs' cs' cs' »ocs' o1-H cs' "1cs cs' <ncs' cs' >ncs' «ncs' mcs'

Me

Molecular WL(amu) 228.3 228.3 228.3 300.36 278.36 278.36 278.36 206.3 156.23 156.23 156.23 156.23 156.23 156.23 156.23 156.23 106.2 156.23 csocs

csocs(So

(S

166.23 166.23 166.23 166.23 166.23 166.23 166.23 166.23

PAHs

solubility

data,

mg /

L,

Common

Name

Chrysene Chrysene Chrysene Coronene 1

,2,5,6-Dibenzanthracene

1,2,5

,6-Dibenzanthracene

1

,2,7,8-Dibenzanthracene

9,

lO-Dimethylanthracene

1

,3-Dimethyhiaphthalene

1

,4-Dimethyhiaphthalene

1

,5-Dimethylnaphthalene

1

,5-Dimethylnaphthalene 2,3-Dimethylnaphthalene 2,3-Dimethylnaphthalene 2,6-Dimethyhiaphthalene 2,6-Dimethyhiaphthalene

Ethylbenzene 1

-Ethylnaphthalene

Ruoranthene

Fluoranthene Fluoranthene

Fluorene Fluorene Fluorene Fluorene Fluorene Fluorene Fluorene Fluorene

1.

Aqueous

CAS#

218-01-9 218-01-9 218-01-9 191-07-1 53-70-3 53-70-3 58-70-3781-43-1 575-41-7 571-58-4 571-61-9 571-61-9 581-40-8 581-40-8 581-40-2 581-40-2 100-41-4

1127-76-0 206-44-0 206-44-0 206-44-0 86-73-7 86-73-7 86-73-7 86-73-7 86-73-7 86-73-7 186-73-7 1

86-73-7

*

Table Entry so 00m

ON oNO

1-H NO

(SNOCO

NO 3

mNO

NO

NO NO

00NOOn

NO o ^H cs CO NO r~

r00 ONr- ooo

1-H 00

cs

00

CO

00 00

20
Phase

Ref.# so o NO NO NO NO cs

Value 6.35E+00 8.02E+00 1.02E+01 1.09E+01 1.41E+01 1.93E+01 2.06E+01 2.25E+01

3.90E-02 3.21E+01

3.18E-02 2.42E-02 2.42E-02 1.91E-02 1.89E-02 1.45E-02 1.44E-02

l.llE-02

1.12E-02 9.43E-03 9.53E-03 8.48E-03 8.57E-03 7.06E-03 7.00E-03 2.61E-01 8.00E-04 2.90E-03

2.85E+01

1

Temp Ue

50.2 54.7 59.2 60.5 65.1 70.7 71.9 73.4 in

«s

31.1 31.1 fS (S 23.1 23.1 00

CO00ON

CO OnCO

00d

00d

1-H ON On

CONOCO

NO m

<s

in

fS incs

thod

I.D. in m <nrf

m

rf

m m inri ci

ON

rn ON

cn

1-H ON

cn

ON

CO

1-H On

CO

1-H ON^

co" OnCO*" 1-H ON

co"

1-H CNf ot—i r- r>~ <s

Me

Molecular

Wt

(amu)

166.23 166.23 166.23 166.23 166.23 166.23 166.23 166.23 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 192.26 NO

NO 142.2

solubility

data,

mg /

L,

PAHs

Common

Name

Fluorene RuoreneFluorene Fluorene Fluorene Fluorene Fluorene Fluorene

2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 2-Methylanthracene 9-Methylanthracene

5-Methylbenz[a

Jpyrene

3-Methylchloanthrene

1

-Methy

Inaphthalene

I.

Aqueous

CAS#

86-73-7 86-73-7 86-73-7 86-73-7 86-73-7 86-73-7 86-73-7 86-73-7

1 cs

1 mI—

NO

<s

cA

NO

(S

1

NO

cs

1 m

NO

r4

cA

NO

613-12-7 613-12-7 613-12-7 (N

1 fO

1-H NO

r~

1

CO

1-H NO

613-12-7 (N

1 CONO

613-12-7 CN

1 CONO

r1 CN

1 CONO

(N

CONO

613-12-7 779-02-2 !

56-49-5 90-12-0

Table

2.i

Entry

#

>o

00 OO

r~

00

00

00 ON00 oOn

1—

ON ON

COON ON mOn

NO

On ON

00OnOn

ON oo

1-H o

cso

COO om

o

NOO

r-o

00oONo

o (N

T—

CO

21
C

O

o

o

o

o

p3 T3

I—

C

cd

•<— C

O

CJ 13

_o

'1/5

(N

0£ i

I/} s

o

s

4^9

a

noo

JS

c

4-* 0) 0)

c

^-^ JS

I

c

Si

c

00

c

JS

On

c

JS4-* J34—1 JS•4-t

J3 X!

a.

B

JS

c

JS c

4) JS

JS

B

<U JS

a*

JS

B

JS

JS

B

u

o

JS4-) JS

B

1)B

JS

JS

§-

00

u

B

0) 13

JSJS

Cu

cd

On

CO

00

B

13

ed

00

(UB

O

13

as

00

B

JS

JS

00

B

so

00

I

•S

JS

OS

VO SO

O 1 o

+ +

00 ! m m

r-; ^ en

f<S vn

00

B

13

JSJS

On

00 00

B

13

JS

JS

OS

B

On

22
a

E

H

co

I

s:

(J 1

i

>^o

Oh

C

o

o

o

1

3

9i

9

•a>

e

e5

.as©

9

S

H

o

+

00

O

+

<s

so

00

00

o

+W

CO00

d

00

00

o

+

PQ

IT) o

so

vn

00

00

VO

o

+w

•n

00

00

CO

VO

COo

+WON

cn

en

00

oo

o

+

Uiom

oo

oo

o

+

d

00

00

o

+oen

d

00

00

o

+

PQo

Ond

00

oo

o

+

IT)

ON

o

+

pq

ON

o

+oOn

o

+WO

CO

ON

o

+

ON

in

o

+wo00

CO

OS

o

+

CO

IT)

oo

oo

oo

00

CO

CO

00

00

CO

CO

00

00

CO

co"

00

00

CO

oo

00

CO

c^r

oo

00

o

+aocn

co"

00

CO

o

+O

COd

co'

00

oo

ca

o

+o

CO

CO

co"

o

+

PLl O

in

00

CO

co'

00

oo

CO

oo

CO

oo

CO

I wo

CO

COo

+oso

IT) CO

CO

oo

+

PL) ON

CO

in

CO

oo

CO

o

o

+o

NO VO NO

o o o

+ +' +

so , On CO

co"

COmCO

ca

00

co'

CO

00

VO

co'

CO

00

NO

CO

m

CO

CO

00

OnON

CO

CO

00

COdCO

m

co"

CO00

a

(U

•S

CM

CO

I OCO

On

§

13•S

a,

as Z

CO

I oCO

ON5

c

-a5

CO

I oCO

On

1>C

13

CO

I oCO

On

C

13

CO

I oCO

<uB

t) 13

•S

CO

I oCO

NO

ON ON

OO

c

a

13•S

CO

I oCO

ON

c

(U 13

COdCO

OnO«n

<u§

13

•3

JS

§- Z

c

13

-3Z

CO

I o

On

»n

CO

I oCO

ON

CO>n

c

<u 13S

Z

CO

I oCO

ON

g

13

•5z

CO

I oCO

On

§

13S

Z

COdCO

ON

0)B

13

z

CO

I oCO

ON

a

u

13•Sz

§

13

Z

u

B

U

13

o, Z

u

B

13

az

NO

tn

CO

I oCO

On

CO

I O

On

OO

>n

CO

I oCO

as

COo

0\

ONO

B

-B

z

CO

I OCO

ON

B

s

z

CO

I oCO

On

I

Z

CO

I oCO

ON

§

13

Z

oCO

I ON

VO

COVO NO

»nmI 00On

B

OOm00

NONO

00

>n

00

NO

B

a

B

(U

(1^

00

>n

oo

B

00

ONNO

B E

-B

00

oo i 00

I23
SO

o ^ O

ue

ON

0£

So.

S

"o

O

S

a00 00 00 00 00 oo oo 00 oo 00 oo 00 oo oo 00 00 00 oo oo 00 oo oo 00 00 oo 00 oo

G

00 On

ON : o On , O

24
s>

a

S U

H

so VO

5

VO

o

w

o

so VO

wo

VO

WO"it O

On

dVO

so

o

+

so

so

O

+oOS

OS

so

o

+uso

CM

o1 Wmso

CMo

+ O+O

so

o

+

PJ

iri

o

+o

ri

oI uoo

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en

o

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in

s

<

si(«

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o

s

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4^sz

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6

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o

so SO OSOosoo

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cso

soosoo

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o

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soo

soo

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00

c

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o

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o

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d\

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soo

(DB

o

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o

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OvO o

0)c

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Ov ooOv

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mI 00

00

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c

cn

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0)c

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cs

00

25
SH

J3

4)s>e o

pq

vd o 3

ON

so oo3

OSoWm su

Ti- cs00

00 oo oo

(So

1/1

iS

a>uSa

InOa &

cs ZsoSSoU c c: us c

X! cu• ^

PQu s

13

J3

a, c2 c C

Oh <

CO CM

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ON

OS OS OS

00 00 oI OS

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(S (N

26
Coopiu

a.

C3 73

I/) cooo 8

s.

9iUsauoa>

JS

r43H e c

00 00

00

00

27
Pi

CO CO CO

4>S

O ! O

+ i +

&

H

e

CS CO CO CO CO CO CO CO CO CO CO CM

u

G

X

OS H

OO I 00

1) (U N N

C C

CM CM CM CM (M CM

S

CM (M CM (M CM CM CM

! CM I CM CO CO

28
J3

s

•OO

9

sa

o

+W

»n

oen

00

oI W

oI woONoI Wo

ocs

NO

oI wo

cn

oI wo

in

oI wo

CNoI pqor-00

CO

csoI wocs

cs

CSo

wo

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fSo

wo

CO

so

oI wocsOn

O

SO

rcs

VO

cs

so

rcs

so

cs

en

cs

IT) CS

en

csin

cs

en

cs>n

cs

csmcs

c

N

C

c

'o'N

c

B

o

N

c

Nc

PQ

(Us

c

PQ

c

C14

o

N

c

PQ

c

Nc

lU PQ

0)c

l-c

o

N

§

0)c

;-( >^d,

O

N

C

u

PQ

o

N

c

(U PQ

1)c

a,

o

N

cD

PQ

fS

c*^ cs

I CO

G

OS

cs

cs

I On

I mO , fS

cs

I asm

o o cs cs

csocs

en

I cs

COOCS

I CS

cs m On On

CS CS On

CS

so

On

CS

CO

I cs

enocs

en

I csOcs

00On

CS

cs

00

I cs

en

I oinooen

csen

I Om

00

I csen

I Om

csoen

00

I csen

I om

enOen

29
4>9

e

1

u

c

9i

ON 00 00 00 00 00 00 00 00 00 00 00

c

4-* s c

•S

c c

13

B

13

•S

C

4) 13 c

13 13

4=

c

a,

I13

ON On ON On ON 0\ OS On ON On On On

00 00 oo 00 00 00

oo I oo

4fc

e

30
s<E

Onieeo

e'u V S H

4^sZsoEEo o ' o o o + + w w ^ I o in ON

00 od ca

Or

oo

00

CO

cn c

a.

oo

IT) OO

COCO

31
Table 3. Physical constant data for chlorinated aliphatics

32
Phase

Ref. o O o o o o o o o o o o o o o o O o o o o o o o o o o O

Value .60E+02

CSo

+oso

.OOE+02 .OOE+01 .OOE+01

.20E+02 .04E+03 .37E+03 .82E+03 ,52E+03

OOE+Ol

.40E+02 ,20E+02

OOE+Ol

,10E+02 ,40E+02 .70E+02 ,60E+02 ,00E+02 ,02E+03 ,00E+02 .50E+02 80E+02 20E+02 29E+03 .37E+03 ,75E+03 20E+02

CN cs CO CO oo cs r- 1—

c^ C^l CO CO

a

Tem Uo o OCO o ocs oCO o ocs oCO mCO o ocs oCO o ocs oCO >n

CO o ocs ofO o ocs oCO CO o ocs oCO o oc^

,

chlorinated

aliphatics

Method

I.D.

SO so o so so SO so so so so so so so so so so so so so so so so so so so so so so

Molecular

wt.

(amu)

163.83 163.83 163.83 252.8 252.8 252.8 153.82 153.82 153.82 153.82 208.28 208.28 208.28 173.82 173.82 173.82 173.82 98.93 98.93 98.93 98.93 98.93 98.93 98.93 96.93 96.93 96.93 96.93

law

constant

data,

Pa

/

mol

Common

Name

Bromodichloromethane Bromodichloromethane Bromodichloromethane

Bromoform Bromoform Bromoform

Carbon

tetrachloride

Carbon

tetrachloride

Carbon

tetrachloride

Carbon

tetrachloride

Chlorodibromomethane Chlorodibromomethane Chlorodibromomethane

Dibromomethane Dibromomethane Dibromomethane Dibromomethane

1,

1-Dichloroethane

1

1,

-Dichloroethane

1

1,

-Dichloroethane

1,

2-Dichloroethane

1,

2-Dichloroethane

1

,2-Dichloroethane

1,

2-Dichloroethane

1

1,

-Dichloroethylene

1

1,

-Dichloroethylene

1

1,

-Dichloroethylene

cis

- 1

,2-Dichloroethylene

iry's

#S cs cs cs »n >n >n

124-48-1 124-48-1 00 CO

1 CO1 CO

1 CO1 CO

1 CO1 CO1 cs

1 C^l1 c^1 OS

1.

Hei <

u cs cs

1 cs CS

in

cs CO

cs

CO

cs

1 CO

cs

CO

cs

1

1 >n

OS

1 •n

Os

>o

OS

1 «n

OS

1 CO CO1 CO

1 so

1 r- so1 so1 so1 r- mCO

1

in

CO

1 mCO in

so 1 1

r~-

1 m1 >n

1 m m

1 soV)1 so so so

«n

cs uo V)

r- tor- o o or—

o >nrin in

r~ in

Table

3.£

s

fo

CO

00CO

CO

Os

CO

CO o

CO CO

csCO

CO

CO CO CO

so

CO CO

00

CO

as

CO O>n

CO

<—

•n

CO

CS

>r> CO

CO

<n

CO

>n

CO m

CO

somCO

r~- CO

oo

>n

CO

OS

in

CO osoCO soCO so

CO

co

so

CO

so

CO

33
a

E

H

>

V3

c

'uo

s:

s

o

S

H

o

9

sw

9isZ

co

S

S

oU

C

o

O

+oOS

o

o

o

+o

o

so

asOS

5

I •2

I OS

I SOm

so

cn

en

OSSO

OS

JSoQ

I OS

I so

O

O

+

OS

O

so

CO

OS

SOas

4)s

o

o5

o

O

+

oo

o

so

OS

so

OS

o

J3O

oso

I so

o

o'Sio

o

+mo

o

so SO

OS

00

0)s

JJ

JS

<DO

SO

SO

I oso

I SOm

00so

en

I oso

I SO

o

O

+wo

CO

o

so

OS

OO

s

I

p

J3o

I OSoI

o

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O

+wo

o

so

csOS

oo

(U6

2

o

Oi

so

e2

o5

I OSOI

o o

o

so so

a,2

Ou, o

u5I

IT)

oo

00

o

o

+wo00

o

o

+o

o

o

o

+o00

oCO

so

as

so

cn

oo

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SO

cn

00so

o

a,o

o

0) Ht

o

o

+osq

cn

o

o

+oso

o

o

o

+o

p

cn

o

o

o

+

pqo

q

ocn

o

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+

pqo

so

CO

so

CO

ooso

so

CO

00so

so

CO

00so

SO

CO

00so

IT)

SO

CO

so

I o

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so

CO

l-l

I

S£p 6

6COso

JSi

I

so

I O

I OCO

so

OS

CO

0)

4)o

so6csi

I oCOsoooo

CO

p

JSo

S2

I CO

I OS

I (S

I CO

I OS

oo

CO

so

CO

00

so

p

i

HI

I CO

I a\

o

o

+

pq8

OS

o

o

COo

+

pqso

o

so

CO

oo

so

JS

l-H

I

I CO

I as

00

CO

o

COo

+

pqo

oCO

VO

00

CO

CO

CO

p

so

I

o

COo

+

pq

CO

o

COo

+

00

c4

o

o

o

o

o

+

pqo

oCO

so

00

CO

CO

CO

so

oo

CO

CO

CO

so

oo

CO

CO

CO

so

oo

CO

CO

CO

so

00

CO

CO

CO

JSo

•c

so

so

oo

CO

so

in

IT)

oo

o

so

oo

00

CO

2o

6o

o

o

+wo

o

o

cso

+Wo

o

so

00

CO

CO

CO

so

00

CO

CO

2

o

•cHI

I o

I OSoOS

CO

JSo

•cH

c

JSp

JSo

•cH

so

OS

CNOS

CO

34
oBo

T3Ccoo

'So

IS oCeocSaH > S U V o o - i

4ts o ; o o o + + o o

On

On

00 i oo c

-4-t uooO I o C : -CBuo

so

On

On

CO

35
Table 4. Physical constant data for polychlorinated biphenyls (PCBs)

36
0)s>

a.« -

a.3

ON

pqo00ino o+wo oo+w oo+wmO

"ooau3

ONOcs oW

cs

OS

cso+w

CO

cs

NO

csoo+w 1o

CJu

o.3

OSocs o+w

cs ocsoo+wcs

»n

cs

cs

cs

so

CSo+

pqOSO

cs o+Wrcscs

csoo+

OS

cs

cs cs

sO__ rn

cs

OS OS

u I n I li ?

cs

cs

cn

cs

cs

cn

cs

cs

cn

cs

cs

cscscs

cs

CS

cs

cn

cs

cs

cn

cs

cs

cs cs

cs cscs

cs

cs

cn

cs

cs cs

cs

cs eaGs azeoSSo

.A

"o

(Asos

Si H cuMo. ISo c

'.Soo cu&ISooI cs c

o. LS2oqI

cs' cua

ISooQ I

cs'

D

ISo cu

o. ISo

cs co

JCo

cs" cu

ISo

'ti- cs' cu

a.o

JZo

cs"

CO

J2 cu

s:a,p c

<j szo. ISp

cs' c

a.p ooQ

so,

cs'

cs cs cn cn so 00 oo 00 oo CJS OS o\ OS <

IT)

m o o cs cs

00

so

oo

so o o 6oo1 OsSOm»n

cs

cnI oin

oo

cscn

cn I omI oo

cscn

cn I o>n400

cscn I o>nI oo

cs

CO

CO

fO1 CO

oo

ooCO

CO

Tj-I CO

oo

00CO

COI CO

oo

00

CO

COI COoo

oo

CO

OS

COI CO

oo

oo

CO

On

CO

CO

00

ooCO

0\

CO

CO

oo00

CO

as

COI CO

0000

CO

mI so

CO

CO

soo o

OSo o cs5

so5 50\ oCM

so

CO

CO

CN

37
Phase supercooled supercooled supercooled supercooled supercooled supercooled supercooled supercooled

Ref. 0<N 0 0CN 01—

cs

VO 00

CO 0 asCO 0 as 0CM so

CO asCO ONCO 0 0 asCO 0 ON

CO 0r—

0cs ON

CO

as

CO 0 0CS VO

CS ON

CO

a 0 0

CO0

1—1 0

CM0

r—

fS0 0 0 0

oi0 0 0 0 z

cs0CS0 0 0

I—

0

<N0

CS' 0 0 0 0

Valu

.54E- .99E- .91E- .47E- .41E- .63E- .04E- .20E- ,95E- .93E- .48E- 48EH

.09E- .07E- .99E- .48E- .82E- ,95E- ,42E- ,23E^ .23E- ,53E- ,51E- ,38E- 86E- 86E- 17E- 66E- 43ECO CO VO CM CO VO in CN c^ in cs VO cs cs cs co 00 cs

Temp U0 in in in in in

cs in vn in<s 0cs in

cs incs in(S

0CN 0cs

in

cs incs 0cs incs 0cs in

cs incs 0cs 0cs incs

in

cs incs 0cs

-a

Methi ID VD

cs

VO^

co' CN cs cs I—

cs cs cs cs

(PCBs)

Molecular

Wt.

(amu) CO CO

(N

CN

CO

cs

CO

cs

CO

cs

CO

<s

CO

ts CO(N

<S

257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54

[phenyl

.0

*^a

c

'u

Nai

imon lenyl

iphenyl iphenyl iphenyl

lenyl lenyl lenyl lenyl

iphenyl iphenyl Iphenyl Iphenyl iphenyl iphenyl

[phenyl

iphenyl

Dbiphenyl

iphenyl [phenyl

Dbiphenyl

5henyl iphenyl iphenyl iphenyl iphenyl iphenyl iphenyl iphenyl iphenyl

>^ "o

ti0

a. .& 0. a. a. obi •obi

[qo. obi obi obi :obi :obi :obi :obi IS [qoj

:obi :obi robi robi iqoj iqoj robi

•ichlorot ichlorobi ichlorobi ichlorobi ichlorob ichlorot •ichloroh ichlorot

-Trichloi -Trichloi -Trichloi -Trichloi Trichloi -Trichloi -Trichloi Trichloi

rrichlorc

-Trichloi Trichloi

Trichlon Trichlon

Trichloi Trichloi -Trichloi -Trichloi -Trichloi -Trichloi -Trichloi -Trichloi

Ofi B

1 Q Q Q o1 u1 0 Q1 CO CO in <n m m <o VO 1 1 >n

1 vq_ in in in VO^ ^^ S

at

CO

1 1 1 >n rJ cs cs CN cs cs cs cs CO CO CO^ co' CO CO CO CO *' *' '*' en CO CO CO cs cs' cs cs' cs cs' cs' cs' cs' cs' cs' cs' r4 cs' c^f cs' cs'

*«: U in in <n m VO VO 00 00 00 00 00 as I—

cs cscs

cs

cs

CO

cs

rl- cs VO

cs VOcs VOcs CS

00

cs

00

cs

00

cs

00

cs

solubili B

I.

Aqueous CAS#

2050-67-1 2974-92-7 2974-92-7

31883-41-5 2050-68-2 2050-68-2 2050-68-2 2050-68-2

38444-78-9 38444-78-9 37680-65-2 37680-65-2 37680-65-2 37680-65-2 37680-65-2 38444-73-4 55702-46-0 38444-85-8 38444-85-8 55720-44-0 5872-45-9

38444-81-4 38444-81-4 38444-81-4 38444-76-7 7012-37-5 7012-37-5

17012-37-5

7012-37-5

Table

4.j

ntry #

424 in

Ti- (N

cd

<N Ov

(N

0CO CO CO

CO

CO CO

in

CO VO

CO CO

00

CO

OS

CO 0 cs CO in VO 00 OS 0

in in

cs

in

u /

38
<s o oo

SiSi

en o C4 3

ON On ooau

a.3

On

C*1 NO

CM

OI WOn oI uOnqCO

csoI WOn

CM

CNOI WNOcsoI WcsNO

cs o1 uq00 NO

csoI W00 ocs in

cs incs cs ocs ocs

csoI m

en

csoI a00o

NOocs

cs I

cs

II

a cs cs cs cs cs cs co

"S5

"o

(A

I»98sH

1/3e

0\

csoI csNO

00

in

inmcs

in

in

cs

On

On

On

CS

On

ON

On

CS

0\

On

On

CS

ON

On

On

CS

On

ON

OnCS

On

ON

cs

On

On

ON

CS

On

ONOS

CS co u

a.

'£o

cs

0^

CSo

csNO

00in

in o

csNO

oo

>n

NOI CS

OnI CO

ONNO

in

CO

vo

CO CO

cs cs cu

a.o cu

LSpoI in

ro

O

TicsooNO

NO

auo

J2UabH

ro

fo' CS

cs' o

ooI COOn1

00

CO

cs

a&o Bo oaa

CO

CO

cs

cs' o

COONI

00

CO o

ta isI CO

CO

cs

CSO

00I CO

OnI

OO

CO cu

a,oo

C3 tt

<U H

CO

CO

cs

cs' o cu

JS

a. IBo

JSoa

is

cs

cs'

COOn

OO

CO

OnI ON

inI CONO

NO

CS

in

NO cuo

JSob

cs

cs'

cs

inI cs

(NI in

in

NO

CO c

JS

a. '£o

JSo

<n isI

ro'

cs'

cs cD

JSao

JSo

a) is

in

CO

cs

cs'

CO

cs

csI On

in

inNO

CO

00

00 in

m

NO I ON i On i ro ! CO r I I NO

CS NO^ ^I NO

CO , 'sf O I ^ i —

1^ ^ ^

ON

39
Ml PQU

a,B

H

o

0<

a;s

"a>

a

1

o

a

3

0\

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W

as

w

o

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On

ON

ea

a

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omm

a

00aB

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c

o

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cu

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o

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ri

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CS00

VO

o

CS

ON

ON

CS

c

o

oH1 so

CSri

NO

I

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ON

ON

ON

CS

CS

CSo

0\

OS

OSON

CS

c

(U

o

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i3uHI

CM

cs'

oo

I as

rI r-CO

CS

oo

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I as

rc*^ CS

"oo

a

3

ON

cn

CSo

Uo

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c

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CSoI OnO

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cn

CSoI U

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c

uXo. XoX

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cuX

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cXo. Xol-l _oXo

a

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Join

(S*

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CSoI pqoCS

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4) Xa, XoXo

w

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cs"

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CSoI PJNO

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cXoXo

CS is

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cs"

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as

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CO

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c

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as

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45
Phase supercooled supercooled supercooled supercooled supercooled supercooled supercooled

Ref.# OS

CO o OSCO

OS

CO o CS so

CS asCO

OS

CO o ,—1 »—

T-H rH so

CS asCO OS

CO cs o CS 7—1 so

cs

Value

O.OOE+OO

1.03E-04 00+3000

O.OOE+OO 4.56E-05 1.14E-04 1.47E-04 3.93E-04 2.12E-04 7.65E-04 8.80E-05O.OOE+OO O.OOE+OO 2.66E-06 2.54E-05 5.08E-05 6.56E-05 1.31E-04 1.20E-05 O.OOE+OO O.OOE+OO 1.79E-05 1.26E-07 6.48E-07 7.43E-06 8.38E-06 1.76E-05 4.95E-05 4.00E-07

Temp eU ocs cs ocs ocs

»r) cs ocs >n

cs

vn

cs

csCO owo

W-) cs ocs ocs wo

cs wocs

csCO o owo

wo

cs ocs ocs wocs wocs

wo

cs wocs oso or- o00

wo

cs

Method ID cs cs cs so

't so as so so

cs cs so so so so

cs cs OS

,—1 so as so

't so so

(PCBs)

Molecular

Wt

(amu)

429.77 429.77 429.77 429.77 429.77 429.77 429.77 429.77 429.77 429.77 429.77 429.77 429.77 462.21 462.21 462.21 462.21 462.21 462.21 462.21 462.21 462.21 498.66 498.66 498.66 498.66 498.66

498.66 i

498.66

L,

polychlorinated

biphenyls

Common

Name

,4,4'

,5,6-Octachlorobiphenyl

,4,4'

,6,6'-Octachlorobiphenyl

,4,5,5'

,6-Octachlorobiphenyl

,4,5'

,6,6'-Octachlorobiphenyl

,5,5',6,6',-Octachlorobiphenyl ,5,5',6,6',-Octachlorobiphenyl

,5,5'

,6,6'

,-Octachlorobiphenyl

,5,5'

,6,6'

,-Octachlorobiphenyl

,5,5'

,6,6'

,-Octachlorobiphenyl ,5,5',6,6',-Octachlorobiphenyl

,5

,5

'

,6,6'

,-Octachlorobiphenyl

,3

,4,4'

,5,5

'

,6-Octachlorobiphenyl

3'

,4,4'

,5,5'

,6-Octachlorobiphenyl

,4,4'

,5,5

'

,6-Nonachlorobiphenyl

,4,4'

,5,5'

,6-Nonachlorobiphenyl

,4,4'

,5,5'

,6-Nonachlorobiphenyl ,4,4',5,5',6-Nonachlorobiphenyl ,4,4',5,5',6-Nonachlorobiphenyl

,4,4

',5

,5

'

,6-Nonachlorobiphenyl

,4,4

',5

,5

'

,6-Nonachlorobiphenyl

,4,4'

,5,6,6'-Nonachlorobiphenyl

,4,5,5'

,6,6'-Nanochlorobiphenyl

,4,4',5,5',6,6'-Decachlorobiphenyl ,4,4',5,5',6,6'-Decachlorobiphenyl

,4,4'

,5,5'

,6,6'-Decachlorobiphenyl ,4,4',5,5',6,6'-Decachlorobiphenyl

,4,4'

,5,5'

,6,6'-Decachlorobiphenyl ,4,4',5,5',6,6'-Decachlorobiphenyl

,4,4'

,5

,5

'

,6,6'

-Decachlorobiphenyl

,3,3' CO

co'

,3,3' CO

co'

co_^ co'

,3,3' ,3,3' ,3,3' ,3,3' ,3,3' ,3,3' ,3,3' ,3,3' CO.

co'

co^

co'

,3,3' ,3,3' co^

co'

,3,3' ,3,3' ,3,3' ,3,3' co_

co'

co^

co'

fO^

fo'

ro_. co'

,3,3'

I.

Aqueous

solubility

data,

n cs

cs' cs

cs

cs

cs' cscs' cscs' cs

Cvf cs

cs' cs

cs' cscs' cs

cs' cscs' cscs' COcs' cscs' cs

cs' cscs' cscs' cs

cs' cscs'

(S_

cs' cscs' cs

cs' cs

cs' cs' cs

cs' cs

cs'

12,2' cs

cs"

cs_^ cs'

i

as as

00

OS ocs

csocscsocs

zoz csocs

csocscsocscsocs

COocswoocsso so soocs

soocssoocsso soOCS ocs

00ocsasOcsOSOCS

OSocsOSocsOSocsOSocsOSOCS

CAS#

52663-78-2 33091-17-7 68194-17-2 2136-99-4 2136-99-4 2136-99-4 2136-99-4 2136-99-4 2136-99-4 2136-99-4 2136-99-4

52663-76-0 74472-53-0 40186-72-9 40186-72-9 40186-72-9 40186-72-9 40186-72-9 40186-72-9 40186-72-9 52663-79-3 52663-77-1 2051-24-3 2051-24-3 2051-24-3 2051-24-3 2051-24-3 2051-24-3 12051-24-3

Table

4.j

Entry*

IT) SO

so

»n

so mso

00

wo

so

OSmso oso

so

SO

SO

csso

SO

COsoSO so

wo

so

so

so

so

so

soso

00so

so

OS

SOso o

so so

csso

COso so

wor>

so

so

so

r-so

00soasso o00so

00

so

cs

00so

CO

00

so

46
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a

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9

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2

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in in

o

uS

Ml

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^ >o >n vn

>o »o

ts ts (S

U

(N ! ro

en 00 in 00 On

e 8

48
1 •s 1 "S 1 •s •s 1 1 s 1 1 1 1 :§

led '3. "o 8 1

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o

"o o o o o 8 12 8 o o 8 o o o o o 12 o o o o o u a a a "o sol o o o o a

CJ o "o o o u u o £ u K

u u

kH« u

u»u ukHUu

u in

kH

1)

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Uhu

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a. a. o, a. o. cx a. ex o. Q- Oh D. s s 3 3 3 3 3 3 3 3 3 3 3 3 CO M M (A

On O On OS On OS On ON On 00 oo O ON o o ON ON ON ON ON On On ON o ON ON ON <7n ON Re m cs CO CO c<^ CO CO r—l CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO

c*^ CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO •n CO CO CO CO O1 o o o o o o O o o o o o o o o o o o o O O o o o O q O O

U

1 u1 1 DQ1 w1 u1 U U

1 U W1 W1 W IE1 W1 W PJ pj PJ UJ1 pq

1 PJ PJ +m PJ W

1 s1 PJ ON CO cs CO CO o o o 00 CO On CN o Tt CN o

> q c<^ ON vO CO On wo oo CO q CN 1—1 NO CO O oo o q in in

-"it NO od r4 00 «s »—NO CS c4 CO CO CO CO cs d CO a

S

e o o o O o o >n o o o o o o o O *o o

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Tei cs cs <s <s V N CO (SI CO CN \ N rsl V. N V. N (^ rO CO CN rO

Method ID >n

um

(null ON ON ON ON ON On ON ON On On On On On On ON ON ON ON On On ON ON On ON CO CO CO CO 3 On ON On ON On On On ON On ON On On ON On ON ON On On On On On On On On Tt Tt Tt Tt u

Ji n

NO NO NO ND

"o On ON fS ON ON ON o\ On ON On ON ON On On On ON On ON ON ON On On ON On ON CO CO (N CN (S fS cs <S cs CO CO C4 fS CO cs cs CO CO CN CO CN CO CO CO

- -1

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u c

u Oh D- D, u JS (U s: J= Si s: Xi x: <L> >iphe s: s: x: s o. a a. o. Q. a. o. a, O. a. a. a, a. s:

Oh IS

SI

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a. Br

s:

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kH kH kH kH B

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k> _o _o

lion

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ki _o _o _o ki kH

kH _o _o kH kH kH

ach ach ach IS B IS IS IS IS Ic IS IS IS_o

IS _oIS IS IS IS IS IS o u o u Ic o o u o u o o o o o o o IS

f'chloi u etrai etrai trac

etrai etra etra trac etra etra etra etra etra etra etra etra etra ;trac ;trac ;trac etra etra ;trac !trac etra

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Dh ca, c

Oh Te H1 H H1 Te H1 H H H1 H H1 H H Tt lO NO

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u

x:

Q.O

x:

a. IEo

c

a. IEo

c

u

x:

a.o

c

u

x:9-o

o — —

x:

s^ Q , Q Q i5 Q Q Q Q Q Q Q r;

cs^ f*l

cs' cs* cs' 9

cs cs' cs" cs m IT) in m iri in

>^c

u

x:

o. IEo

x:

c

u

x:

o.

IEo

cs cs cs i cs , cs (S 99999 -^^^ -4 -4 lA CO CO , to' CO

<S cn VO VO 00 00 00 Ov ON ov ON ON ON cs cs cs Tj-

<

00

I I o —

vO VO O I o

OS

I CSVO

00 00

00 00 p p CPs dv

cs cs o : o

00

I 00 —

O Ov

I I ON ir> CS o

O VO

CO VO

VO VO

I I o o 00 00

I I ON ON

vO VO m m in , in cs cs

cnO CO mr I •<1- CO

00 00

cs 00

CO

I CO

00 : 00

00 00 CO CO

ON On

CO CO

I I fO ' CO

00 I 00

00 00

CO ; 00

00 00

CO CO

ON ON

CO CO

I I CO CO

00 00

00 00 CO CO

ON m CO

I 1 VO

CO VO I I 00 o 00 — in

, CO O CO : CO cs

cs VO ' ON

I I o ^ m r- O ON

cs , cs

cs cs ON On

00

r- r- 00 On ON —

CS I CS 1 CO

B

VO

00 . 00 — cs

cs cs 00 1 00

W) VO

cs cs 00 i 00

00

cs , cs

00 00

OS O cs , CO 00 00

cs CO

CO CO 00 , 00

' m VO

ro CO cn 00 00 I 00

00

CO CO 00 I 00

ON ' O —

m --t 00 i 00 , 00

53
Phase

distilled

water j

seawater

distilled

water

seawater

Ref.# o LZ-OZ cncn o Oin Oin o mcn oin oin

in

cn o o1—1 o in

cn o 20;27 o 20;27 in

cn

vo

cn vocn vom

vo

cn vocn vocn vocn o

Value 2.27E+01

2.02E-H01

9.67E+00 2.54E+01 8.13E+01 3.20E+02

3.24E-f01

2.50E+01

l.OlE+02

2.71E+02 2.30E+01

2.30E-H01 1.94E-h01 3.22E-H01 2.20E-I-01

3.02E+01

3.29E-h01

2.90E+01

3.20E-I-01 2.00EH-018.70E-I-00

2.12E+01 4.74E+01

5.03E-I-01 7.08E-I-01 1.21E-h02

1.22E+02 3.00E+01

Temp Uo m in

CN inCM incs

cn

cs cnCN mCN mCN

cn

cs

cn

cs

in

cs

in

CN inCN inCN inCN

in

CN in

CN inCN

in

CN inCN

10.4 ocs30.1 34.9 42.1 47.9 48.4 in

cs

phenyls

(PCBs)

ethod ID CN CN CS vo cs cs vo vo r—

CN 1—1 CN vo

Molecular

WL

(amu)

223.1 223.1 223.1 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54 257.54

constant

data,

Pa

m''/

mol,

polychlorinated

hi]

Conunon

Name

4,4'

-Dichlorobiphenyl

4,4'

-Dichlorobiphenyl

4,4'

-Dichlorobiphenyl

2,2'

,3-Trichlorobiphenyl

2,2'

,3-Trichlorobiphenyl

2,2'

,3-Trichlorobiphenyl

2,2'

,5-Trichlorobiphenyl

2,2'

,5-Trichlorobiphenyl

2,2'

,5-Trichlorobiphenyl

2,2'

,5-Trichlorobiphenyl

2,2'

,6-Trichlorobiphenyl

2,3,4-Trichlorobiphenyl

2,3,4'-Trichlorobiphenyl

2,3,5

'

-Trichlorobiphenyl

2,3,6-Trichlorobiphenyl

2,3

'

,5-Trichlorobiphenyl

2,3

'

,5-Trichlorobiphenyl

2,4,4'

-Trichlorobiphenyl

2,4,4'

-Trichlorobiphenyl

2,4,4'

-Trichlorobiphenyl

2,4,4'

-Trichlorobiphenyl 2,4,4'-Trichlorobiphenyl

2,4,4'

-Trichlorobiphenyl

2,4,4'

-Trichlorobiphenyl 2,4,4'-Trichlorobiphenyl

2

,4

,4

'

-Trichlorobiphenyl

12

,4

,4

'

-Trichlorobiphenyl

2,4,5-Trichlorobiphenyl

It

B

in in in vo vo 00 00 00 00 o\ cs

CN cnCN voCN vo

CN 00CN

00

CN 00CN 00cs 00cs 00cs 00cs

oo

cs

00

cs

00

cs ON

CS

Table

4.C.

Henry's

law

CAS#

2050-68-2 2050-68-2 2050-68-2

38444-78-9 38444-78-9 38444-78-9 37680-65-2 37680-65-2 37680-65-2 37680-65-2 38444-73-4 55702-46-0 38444-85-8 55720-44-0 5872-45-9

38444-81-4 38444-81-4 7012-37-5 7012-37-5 7012-37-5 7012-37-5 7012-37-5 7012-37-5 7012-37-5 7012-37-5 7012-37-5 7012-37-5

15862-07-4

Entry*

CN

00

cn

00 00 00

vo

00 00

00

00

ON

00 ovn00 m00 om00 00

cs

«n

00

COin

00 m00 m

00

vom00 m0000

«n

00

a\m00 ovo

00

r-H VO

00

csvo

00

cnvo

00 00

>nvo

00

voVO

00 vo

00

54
V

a.

w-i O 91 m O

00 \0 o o

i 1/^ m

"a>

o o o

+ + + www O O 00 p 00 >r) r4 ir! ^

O O O

+ + + WWW 00 o u-i

) OS j On

fS ^ en

o o

+ + W W

cs

o o

+ + o. . + W ; W W

o o

+ + W W

o o t o o

+ + + + w , w w w O i (M

">0 !

i On

00 o\ -"^ a

E U a e O CI m CN CS CS

I Q CS so cs cs so cs so cs cs so cs

1 £

rj- -"t Tl- cscscscscscscscscscs

Tt vn IT) »nOn On On On On On On On On On On On On On

cs cs

On On 0\ OS On On

CS CS CS CS CS CS

sz

e

o

E

E

o

u

o

cs'

X)o

un

HI NO

cs'

XIo

D,i O, D. -B I -s -a -H

c c X X o o

o

•cH1 NO. *'

cs'

o

>n' irT

3

On O O CS c*^ cn cn 5 5 5

cs cs

>r) ; in

s

On >n

I I NO 00

00 so600

sor00 : ON

SO SO

00 00

On O 00 1 as

00 i 00 ^ cs ON ; OS

00 00

On I OS

SO ! so m m CO cn

en »n

OS OS On 00 00 00

55
u

Oh

X)

o

CI,

Id

C

o

u

(A PQ

a

o

£

9

sZ

fio

S

B

oU

s

00

On

ON

CO CO

On

CO

c

o

CO NO

CO

c

ISp

CO CO

NO NO

56
Phase

Ref.# o CO O 20;27 o o o O O o >n

CO

oo o 20;27 20;27 O o o o in

CO o LZ-OZ mCO

in

CO mCO mCO o mCO

Value 2.17E+01

l.OOE+0

1.03E+01 9.52E+00 2.00E+01 3.80E+01

1.48E-h01

1.86E+01 3.04E+01 1.82E+01 7.40E+00

l.llE+01

2.48E+01 2.54E+01 9.09E+01

l.OlE+01

1.45E+01 2.99E+01 1.27E+01

5.60E-hOO

1.05E+01 3.06E+00

1.30E-t-00

2.90E+00

3.70E-hOO

4.40E-H00 2.06E-h01 4.90E-h00

Temp eU CS >n

CS CN

>n

CN

>n

CS CN CN >n

CN CN CN CS toCN

»n

CN «nCN »nCN mCN lOCN

in

CN mCN mCN inCN inCN

in

CN mCN

>n

CN

in

CN mCN

in

CS

PCBs)

Method ID so CN NO CN CS NO CN NO NO NO NO NO

phenyls (

Molecular

wt.

(amu)

291.99 291.99 291.99 291.99 291.99 291.99 326.43 326.43 326.43 326.43 326.43 326.43 326.43 326.43 326.43 326.43 326.43 326.43 326.43 326.43 360.88 360.88 360.88 360.88 360.88 360.88 360.88 360.88

c

'u

a

"oS

Common

Name

2,4,4'

,5-Tetrachlorobiphenyl

2,4,4'

,5-Tetrachlorobiphenyl

3,3',4,4'-Tetrachlorobiphenyl 3,3',4,4'-Tetrachlorobiphenyl

3,3

'

,4,5

'

-Tetrachlorobiphenyl

3

,3',5

,5

'

-Tetrachlorobipheny

1

2,2

',3

,3'

,4-Pentachlorobiphenyl 2,2',3,4,5'-Pentachlorobiphenyl 2,2',3,5',6-Pentachlorobiphenyl

2,2'

,3

'

,4,5-Pentachlorobiphenyl 2,2',3',4,5-Pentachlorobiphenyl 2,2',4,5,5'-Pentachlorobiphenyl 2,2',4,5,5'-Pentachlorobiphenyl 2,2',4,5,5'-Pentachlorobiphenyl

2,2

'

,4,6,6'

-Pentachlorobiphenyl 2,3,3',4,4'-Pentachlorobiphenyl

2,3,4,4',

5-PentachlorobiphenyI

2,3

,4,5

,6-Pentachlorobipheny

1

2,3',4,4',5-Pentachlorobiphenyl 2,3',4,5,5'-Pentachlorobiphenyl

c

u

o- ISo

o

CSX

u

DC

CO

CO

CS

cs'

2,2',3,3',4,4'-Hexachlorobiphenyl

2,2'

,3,3'

,4,4'

-Hexachlorobiphenyl

2,2',3,3',4,5-Hexachlorobiphenyl

c

(U s:

a.

IBoi-i _oo

CSX

<u DC<n

CO

CO

CS

cs'

c

(Ua.oi-i ^So

CSX

4> ECNO*'

CO

COCS

cs'

>>c

x:

9-oii _oo

CSXuX

in>n

CO

co' CS

cs'

2,2',3,3',5,6-Hexachlorobiphenyl

constant

d

2

r~

On oooCN

00 r00 «n

ON On

r-- On o

f—i o o o

inO

NO 00 oCN

00

CN

00

CN 00

CN

as

CN OCO

CN

CO

CO

CO CO

Table

4.C.

Henry's

law

CAS#

32690-93-0 32690-93-0 32598-13-3 32598-13-3 41464-48-6 33284-52-5 52663-62-4 38380-02-8 38379-99-6 41464-51-1 41464-51-1 37680-73-2 37680-73-2 37680-73-2 56558-16-8 32598-14-4 74472-37-0 18259-05-7 31508-0-6

68194-12-7 38380-07-3 38380-07-3 38380-07-3 55215-18-4 52663-66-8 38380-05-1 35694-4-3

52704-70-8

Entry #

CNas

»n

CNOn

NO

CNOn

CNa\

00

CNON

On

CNON oCOOn

COOn

CNCOON

CO

COOn

CO

On

»o

COON

NO

COOn

rCOON

00

COOn

ON

COON o

as

,—1 ON

CNON

COON ON ON

NO

ON ON

ooOnONON o»nOn

>nON

57
9i o 8 + +o

in

Vi n

OnC

<ii a

SO VO so os

CMBO

i-i SsH c

<uo co cuo cu

o.o a

vo

so

58
u

Oh

s—c

x:

a,

<u

-4—t co

>^ 'o

C3

T3Cooo

Mls

JGa

a> £o

"oa

"oS

04

C9CCo

.2uCX

4>

9ia> aS

0)

U: e = 5

1; i

4)szcoSSoe o i u !

00II so

soO00 o

a,u

DCI

of

Oo+o

ONcuoo

ooo

en

00as

so

CO+o +

CO 5 8 + +

pqOSso

CO+ +WO o+Wr~>o +WO

CO+

VO VO

CO

O+

cs +

oo

00

cs o+

PJ

CO

COu

iSo.uXI vq

in

>n

CO

CO

COe

IBp

(SCO

>n

ON

COauao oI

CS iX

cn^

fo"

cs'

OS

00

OS

COI mCOOn

COoas

as

a,u

CO

fOOOS

OScooO

CO

CO

csri

ON

Ono

CO

CO

cs

cs

ON

00oI On

SO

CO

as

On

00OI OSSOmCO

OSioI

ro^

csI 00I COso

so

(Sin

ON

ON

Onc

jSoioO

>n

co_^ (<\ cs

OS

ON

>^au

a, XoO

NO

no'

CO^ CO

r-i ri

ON

OS

csoBoo

vq

Jo

<n

CO

CO

cs

oo

On

OinI O

so

asOn

ON

00NO

ON

OS

ONc

<u X

D. XOXoBoOI vq

Cn

co_^ co' csri

ONON

ONI mr-I CO

NONO

cswo

00ON

as

ONCuX&XoXoBooI NO

no' Co

CO

CO

csri

OncXa. XoXO

no' in

*n

ro^

co' csrio

OS

ONNO

CO

>—

ON

ONON

ON

ONI NO

CO

csNOcUX&Xooco

inin

CO

CO

cs

NOO

OSII NO

00

>—

o

NO

NO

00OScuXa. XoXo

C3O

<U QI NO

NO^ wn

in

co^

co' csri

ONo

COI

inO

CO

00Xu

(3c

<D

+-> 3Xo

CO

>^ Xou

'>

T3c

cij O00

ONc O8©00

OS5

C3 mXoOOsBocu

60coo

PQU

NeXo1/1 n

in

>n

in

ro00

ONS

60Coooui3C

1) u

_>

'o3

•ocoouX c

oix'o3XO

CO

59
Table 5. Physical constant data for chlorinated benzenes

60
Table

5.a.

Aqueous

solubility

data,

mg /

L,

chlorinated

benzenes

Phase

Table

5.b.

Vapor

pressure

data.

Pa,

chlorinated

benzenes

Phase

Table

5.c.

Henry's

law

constant

data.

Pa

/

mol,

chlorinated

benzenes

Phase

Ref.# cs cs Ref.# NO r-co

rCO

Value 2.95E+02 9.23E+01 1.25E+02 3.09E+01 1.23E+01 4.61E+01 4.12E+00 1.22E+01 2.89E+00 2.35E+00

8.31E-01 Value 3.49E+00 Value 3.82E+02 2.47E+02 2.85E+02

Temp Ue mcs m m<s <n m vn

<N <N >nfS Temp e «ncs Temp Uo

>r> <s o >n

Method

I.D. ON4"

On o ON On ON4"On

<t

On4ON ON ON4 Method

I.D.

Method

I.D.

cs CO cn

Molecular

=

^

112.56 147.01 147.01 147.01 181.45 181.45 181.45 215.9 215.9

1

215.9 250.34

Molecular

WL

(amu)

215.9

Molecular

WL

(amu)

112.56 I112.56 112.56 —

Common

Name

Chlorobenzene

o

-dichlorobenzene

m

-dichlorobenzene

p

-dichlorobenzene

1

,2,3-trichlorobenzene

1

,2,4-trichlorobenzene

1

,2,5-trichlorobenzene

1

,2,3

,4-tetrachlorobenzene

1

,2,3,5-tetrachlorobenzene

1

,2,4,5-tetrachlorobenzene

pentachlorobenzene

Common

Name

1

,2,3,4-tetrachlorobenzene

Common

Name

Chlorobenzene Chlorobenzene Chlorobenzene

CAS#

108-90-7 95-50-1

541-73-1 106-46-7 87-61-6

120-82-1 108-70-3 634-66-2 634-90-2 95-94-3

608-93-5 CAS#

634-66-2 CAS#

108-90-7 1

108-90-7 j

108-90-7

Entry* 8

j

1004 8

VO8

008 8

o

o

1011 O

COO Entry

#

1014 £•a

1015 1016 1017

61
SH

C/3

<uNC

(U -o

ed

4—'

(?3

-4—

C/3 coo

'l/i

Oh

C3

sscSOu

l/i uC

a> e

-ao

0)sZcoESoe

CO fo

V)

CO CO CO CO CO CO CO

00 00 oo

CO CO

62
C/2 coNc

X)

T3

(U _Co

T3C

•4—

cooy

>^ ceCiCe©CX

ft H s

It> S U a : e H o

.s

0) 3 wuS

COo+o

a\

ON

CM

COO+

00

COo+

OSO

COo+W

oo

CO

COo+

vd

COo+

pq

00

CO

COo+w

r-mo

On

IT) (ScuNcu£oI oOnI COsoO

COdmcsCOdwoCOdm

COdmcs

COdin

cs

COd

cs c

<uNco

<ueuNcuXo cNcXo cNcXo c

wo

CO

OnI OOO

NO

c:u

a. o

asCu c c

0)NcXol-l cNcXo c

CI.

CO

ONI 00o

CO

OnI 00oNO

woI CO

a\I 00oNO

On I COI ooosoouoo

J3BI CO

ONI oooNO

woo
Table 6. Physical constant data for polychlorinated dibenzo-/7-dioxins

64
Phase

Ref.# «s

cs

cs cs

cs

cn

cs

cn

cs cscs

cs

cs cncs cs

cs

CS

cs

cn

cs cnCN cn cn

cs

cn

cs cn

CN

CS CScs

cn

cs

cscs cn ON ON ON ON ON On On

Value 2.12E-01 9.00E-01

2.39E+00

8.42E-01 4.17E-01 1.33E-01 3.19E-01 2.78E-01 7.49E-01 7.49E-01 1.49E-02 3.75E-03 2.24E-03 1.67E-02 8.41E-03 6.95E-03 1.13E-04 4.70E-04 6.30E-04 1.17E-03 3.88E-04 4.30E-04 1.27E-03 3.20E-04 3.90E-04 1.20E-04 4.60E-04 4.40E-06

xins

Temp Ue mcs 0 cs

«n

cs

OS

cn mcs cs

ON

cn

•n

cs

«n

cs >ncs >ncs

>o

cs

<n

cs »ocs cs

yr, cs 0 CN 0CN 0 0cs 0 0cs 0 0cs

nzo-p

-dio

-thod

I.D. VO4"

VO4'

VO4"

VO4^VO VO4^

VO4"VO4"VO4'VO

"«t VO VO VO4"

VO VO4"VO VO VO VO VO4"VO ON

cn Oncn ONcn

ON

cn

On

cn

On

cn ONcn

ilorinated

dibei

Molecular Wt.(amu) 00 00 00 00 218.5 218.5 218.5 218.5 218.5 218.5 cn

»n

cs

cn

«n

cs

cn

<n

cs

cnmcs

287.5 287.5 cs

cs

cn

cs

cs

cn

cs

cs

cn

cs

CN

cn

cs

cscn

cs

CN

cn

cs

(Sm

cs

CM

cn

cs

CMm

356.4 356.4 ON

cn

solubility

data,

mg /

L,

polych

Common

Name

Dibenzo-p

-dioxin c

'><

' 0^

1 0

N

C

63 £>5

Dibenzo-p

-dioxin

Dibenzo-p

-dioxin

l-chloro2-Chloro- 2-Chloro- 2-Chloro- 2-ChIoro- 2-Chloro2,3-Dichloro- 2,7-Dichloro- 2,7-Dichloro- 2,8-Dichloro1,2,4-Trichloro- 1,2,4-TrichIoro1

,2,3

.4-Tetrachloro- 1,2,3,4-Tetrachloro- 1,2,3,4-Tetrachloro- 1,2,3,4-Tetrachloro- 1,2,3,4-Tetrachloro- 1,2,3,7-Tetrachloro- 1,2,3,7-Tetrachloro1

,3,6,8-Tetrachloro1,3,6,8-Tetrachloro1,2,3,4,7-Pentachloro- 1,2,3,4,7-Pentachloro1,2,3,4,7,8-Hexachloro1.

Aqueous

CAS#

262-12-4 262-12-4 262-12-4 262-12-4

39227-53-7 39227-54-8 39227-54-8 39227-54-8 39227-54-8 39227-54-8 29446-15-9 33857-26-0 33857-26-0 38964-22-6 39227-58-2 39227-58-2 30746-58-8 30746-58-8 30746-58-8 30746-58-8 30746-58-8 67028-18-6 67028-18-6 30746-58-8 30746-58-8 39227-61-7 39227-61-7 139227-26-8

Table

6.2

Entry

# CN

>n0

cn

«n0 0

»n0

VO

•n0

r-0

00•n0ON

«n0

0VO0

VO0

CNVO0

cnVO0

VO0

>ri VO0

VO

VO0

VO0

00VO0

On

VO0

0i>0 0

CN0

cn0 0»n0

VO

r-0 0

00

r-0 1079

r

65
Phase Phase supercooled supercooled supercooled supercooled supercooled

law

constant

data,

Pa

/

mol,

polychlorinated

dibenzo-/?

-dioxins

Phase

Ref.# ON On

1—1 ON On ON

cs

cs

cs Ref.# cs cs cs Ref.# CO CO CO

Table

6.a.

Aqueous

solubility

data,

mg /

L,

polychlorinated

dibenzo-/?

-dioxins,

continued

Value 1.90E-05 2.40E-06 6.30E-06 4.00E-07 2.00E-06 3.10E-07 1.82E-06 7.87E-07

ed

dibenzo-/?

-dioxins

Value 1.04E-04 1.75E-05 3.96E-06 1.02E-06 2.77E-07 Value 5.96E+00 3.64E+00 2.02E+00

Temp e o oCN o ocs o o oNO o00 Temp eU «n

cs m

cs >o

cs mcs mcs Temp Uo

V)

cs mcs incs

Method

LD. ON

(Tt ON

CO On

CO

ON

CO

On

co' NO NO NO

Method

LD.

r- r- o

Method

LD.

NO NO NO

Molecular Weight ON 425.2 425.2 oNO ONO oVO oNO oNO Molecular Weight cs

cs

CO

356.4 On

CO

425.2 oNO Molecular Weight CO

>n

cs

287.5 CScs

CO

Commom

Name

1,2,3,4,7,8-Hexachloro1,2,3,4,6,7,8-Heptachloro- 1,2,3,4,6,7,8-HeptachloroOctachloro- Octachloro- Octachloro- Octachloro- Octachloro3.

Vapor

pressure

data.

Pa,

polychlorina!

Common

Name

1,2,3,4-Tetrachloro1,2,3,7,8-Pentachloro1,2,3,4,7,8-Hexachloro1,2,3,4,6,7,8-HeptachloroOctachloroCommon

Name

2,7-Dichloro1,2,4-Trichloro1,2,3,4-TetrachloroCAS#

39227-26-8 35822-46-9 35822-46-9 3268-87-9 3268-87-9 3268-87-9 3268-87-9 3268-87-9 CAS#

30746-58-8 40321-76-4 39227-26-8 35822-46-9 3268-87-9

Table

6.C.

Henry's

1

CAS#

33857-26-0 39227-58-2 1

30746-58-8

Entry

# o00o

oooooo

CO

00o

00o

»n

00o 1086 i>00o Table

6.1

Entry

#

1088 1089 1090 1091 1092

Entry

#

1093 1094 1095

66
I

Table 7. Physical constant data for polychlorinated dibenzofurans

67
oNco

JO

•coI

•aI"1 a

0£SII9

"Si9 ue

4t: 5a

00 8

ON 5

.aO

a,

C9

Ui9

Viua

b<oa i 9

-a e O<a

CO

CO

68
—

Phase 1

Ref.# cn m m CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO fO

4.20E-06

13

Value 2.40E+00

2.20E-I-01 1.50E-H02 6.50E-04 1.70E-02 2.90E-01

3.20E+00 2.70E+01

3.90E-04 9.10E-03 1.40E-01

1.40E+00

l.lOE+01

3.00E-05 9.90E-04 2.00E-02 2.60E-01

2.50E-I-00 8.20E-05 3.10E-03 6.80E-02

l.OOE+00 l.OOE+01

4.10E-06 1.90E-04 5.10E-03

cso

§

00

l.OOE+00

'

Temp Ue »n 8

>n »n

cs o<n

>n

r-

«n

cs m om mr- 8

mcs <n

cs om

»n

f- 8 mcs >n

cs o«n mr- §

<n

cs >n

cs om mr~ o in

cs mcs

rans,

continue

Method

I.D.

1

dibenzofu Molecular 202.63 202.63 202.63 237.05 237.05 237.05 237.05 237.05 237.05 237.05 237.05 237.05 237.05 271.47 271.47 271.47 271.47 271.47 271.47 271.47 271.47 271.47 271.47 305.89 305.89 305.89 305.89 305.89 305.89

Table

7.b.

Vapor

pressure

data,

Pa,

polychlorinated

Common

Name

3-Chlorodibenzofuran 3-Chlorodibenzofuran 3-Chlorodibenzofuran

2,3-Dichlorodibenzofuran 2,3-Dichlorodibenzofuran 2,3-Dichlorodibenzofuran 2,3-Dichlorodibenzofuran 2,3-Dichlorodibenzofuran 2,8-Dichlorodibenzofuran 2,8-Dichlorodibenzofuran 2,8-Dichlorodibenzofuran 2,8-Dichlorodibenzofuran 2,8-Dichlorodibenzofuran

2,3,8-Trichlorodibenzofuran 2,3,8-Trichlorodibenzofuran 2,3,8-Trichlorodibenzofuran 2,3,8-Trichlorodibenzofuran 2,3,8-Trichlorodibenzofuran 2,4,6-Trichlorodibenzofuran 2,4,6-Trichlorodibenzofuran 2,4,6-Trichlorodibenzofuran

2

,4

,6-Trichlorodibenzofuran 2,4,6-Trichlorodibenzofuran

1

,2,3,4-Tetrachlorodibenzofuran

1

,2,3,4-Tetrachlorodibenzofuran

1

,2,3,4-Tetrachlorodibenzofuran

j

1,2,3,4-Tetrachlorodibenzofuran

1

,2,3,4-Tetrachlorodibenzofuran

cao

c

u5

o

_o

J=o«h

H

(S

r44o

CO00

CAS# 25074-67-3 25074-67-3 25074-67-3 64126-86-9 64126-86-9 64126-86-9 64126-86-9 64126-86-9 5409-83-6 5409-83-6 5409-83-6 5409-83-6 5409-83-6

57117-32-5 57117-32-5 57117-32-5 57117-32-5 57117-32-5 58802-14-5 58802-14-5 58802-14-5 58802-14-5 58802-14-5 24478-72-6 24478-72-6 24478-72-6 24478-72-6 24478-72-6

Entry*

00 OS o cs

cs

CO in

1126 cs 00

cs

as

cs oCO CO

cs

CO

CO

CO 1

1134 mCO CO CO

00CO

OS

CO o 5

cs CO 5

>n

69
CO C<1 CO CO cn cn CO CO CO

CO

§ o

.su

o

u

"oa

CO

uS

0)a

o

a

>

cs

<

s

70
en en en CO CO en en en

e

5

.suo

"o

cul

u

S

Ml

CMuo

>

I 00

<

00

e

00 On

71
CO (O en CO cn CO CO CO CO CO CO CO CO

B

H

e

'Co

arr B

b«s

1/1 a

uo&

CS

oo

CS CS CS CS CS <s CS CS CS CS CS CS

OS OS OS OS OS

G

72
06

cn cn cn cn cn cn cn

9

cnO

cn

oI uo

o

cn

ino

1—

c

s o

Wo

cs

o

Wo00

O

WoON

o

oo

o o

u

8

cn

oI WooI woo

o

o

PJocn

o

cn

OI mocn

I wo

cnoI o

qod o

o

wo

oI Wo00

cs

o

W

8

ON cs cs

a

§ e o CN O un wn

CN o incs o oo

<n o»n o

o

S3 3

o

X)

c

•co

a,

13c

a,2

cx

13o

1

o

ON

00

u-i ocn

ON

00

<nocn

0\

oo

>nocn

m

d

cnd

cn

cnd

cn

.ao

2

s

(Aa

uo

a <

B

o

N

e

u1u

_o

ISi

I

no'

OI ON

I cso00

00m

cn

CN

o

N

C

o

i

I 00

cs'

On

I o00

00>n

o

ah

I oo

csOI ON

I CNO00

00

NO

cn

o

N

C

o

x:o

c

u

CL,

I NO

cn

CN

NO

I

cn

CN

o

N

C

uo

u

c

u

OhNO

cn

CN

NO

I

cn

oo

o

Nc

u

o

o3

e

u

VO

cn

(N

NO

cn

oo

ON

cn

Cv)

cnd

cn

o

N

C

u

.Oo

NO

I

I

cn

00O

CN

cnd

cn

o

N

Cu

JOo

s:o2

c

u

CU

I NO

cn

CN

NO

l>

I s

cn

oo

cnd

cn

o

N

C

uo

o

c

u

CL,

CN

OO

NO

CN

CN

cnd

cn

ao

N

C

u

o

cnd

cn

cnd

cn

cnd

't

cn

00

«n

NO

o

N

C

p

o2

c

u

cn

(N

OO

IT) NO

CN

o

N

e

"•3p

oB

e

u

Ol,

I 00

cn

CN

O

N

e

•3o

o2

c

u

CL,

00

't

NO

NO

cnd

cn

aO

N

C

u

O

I

c

<u

Qu,

I rno' cn

CN

't

in

cnd

cn

ao

N

C

u

ohio

o2

c

<u a.

vo'

CN

cnd

cn

ao

N

C

u

•3p

J2O

2

c

<L> CL,

I

vo'

(N

in

ON

CN

cnd'tcn

ao

N

C

o

c

u

CL,

I

vo'

CN

»nO

in

(N

cnd

cn

c

cij a

p

N

C

<u .D

'•3o

P

o2

c

u

,

rn

CN

CN

cnd't

cn

ca

p

N

C

o

Sioc

0) Oh

00^

cn

NO

in

(Nin

(N

cnd't

cn

B

to a

p

c

p

o2

c

u

CL,

I

cn

(N

NO

in

cnd'tcn

ca

p

N

c

o

o2

c

o

Oh

I OO

cn

(N

NO

in

'si- in

(N

cnd'^cn

a

p

S)c

O

2

c

<u Oh

, 00

rn

(N

NO

m

cndTi- en

ca

p

N

C

"3o

o

(3C

4)

CL,

I 00

cn

CN

NO

>n

NO

»n

(N

cnd

cn

ao

N

C

4)

O

o

C

u

CL,

NO

r-mCN

cnd'*

cn

cnd

cn

a

p

N

C

o

o2

c

1) Oh

t

no'

cs'

oin

I '*Orcn

00

cnd

cn

p

B

4)

P

o

c

<u Oh

vd

^'

ri

OmI O

cn00

ON I O

in ! NO

cnd

cn

p

N

CU

•3p

o2

c

u

Oh I

vo'l no'

(N CN

omI o

cn i cn 00 I 00 —' <N NO NO

CN

73
CO cn CO CO cn CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO

.suO

u

9

Mlua

o

a

e

74
Phase

Ref.# fO CO fo cn ro CO fO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO

Value 3.60E-01 3.20E-07 1.90E-05 6.10E-04 1.20E-02 1.70E-01

{

2.50E-07 1.40E-05 4.50E-04 8.90E-03 1.20E-01 3.50E-07 2.17E-05 2.10E-05 6.70E-04 1.40E-02 1.90E-01 3.20E-08 2.30E-06 9.00E-05 2.20E-03 3.50E-02 2.90E-08 2.10E-06 8.10E-05 1.90E-03 3.10E-02 5.50E-08 4.20E-06

remp eU

»nn »n o»n >o 8»n m<s o>n >n mCN

,—1 (N

mcs o>n CN in

CN o>n

in

r- o mCN

,—1 in

CN oin

in

r- o

r—

in

CN in

CN om

se —

irans,

contii

Method

1.1

1

dibenzofu Molecular

wt.

(amu)

340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 340.31 374.73 374.73 374.73 374.73 374.73 374.73 374.73 374.73 374.73 374.73 374.73 !

374.73

).

Vapor

pressure

data,

Pa,

polychlorinated

Common

Name

1,3,4,7,8-Pentachlorodibenzofuran 2,3,4,6,7-Pentachlorodibenzofuran

2,3,4,6,7-Pentachlorodibenzofiiran

2,3,4,6,7-Pentachlorodibenzofuran 2,3,4,6,7-Pentachlorodibenzofuran

2,3,4,6,7

-Pentachlorodibenzofuran 2,3,4,6,8-Pentachlorodibenzofuran 2,3,4,6,8-Pentachlorodibenzofuran 2,3,4,6,8-Pentachlorodibenzofuran 2,3,4,6,8-Pentachlorodibenzofuran 2,3,4,6,8-Pentachlorodibenzofuran 2,3,4,7,8-Pentachlorodibenzofuran 2,3,4,7,8-Pentachlorodibenzofuran 2,3,4,7,8-Pentachlorodibenzofuran

2,3,4,7,

8-Pentachlorodibenzofuran 2,3,4,7,8-Pentachlorodibenzofuran 2,3,4,7,8-Pentachlorodibenzofuran

1,2,3,4,6,7-Hexachlorodibenzofuran 1,2,3,4,6,7-Hexachlorodibenzofuran 1,2,3,4,6,7-Hexachlorodibenzofuran 1,2,3,4,6,7-Hexachlorodibenzofuran 1,2,3,4,6,7-Hexachlorodibenzofuran 1,2,3,4,6,8-Hexachlorodibenzofuran 1,2,3,4,6,8-Hexachlorodibenzofuran 1,2,3,4,6,8-Hexachlorodibenzofuran 1,2,3,4,6,8-Hexachlorodibenzofuran 1,2,3,4,6,8-Hexachlorodibenzofuran 1,2,3,4,6,9-Hexachlorodibenzofuran

1,2, 3

,4,6,9-Hexachlorodibenzofuran

CAS# 58802-16-7 57117-43-8 57117-43-8 57117-43-8 57117-43-8 57117-43-8 67481-22-5 67481-22-5 67481-22-5 67481-22-5 67481-22-5 51207-31-4 51207-31-4 51207-31-4 51207-31-4 51207-31-4 51207-31-4 79060-60-9 79060-60-9 79060-60-9 79060-60-9 79060-60-9 69698-60-8 69698-60-8 69698-60-8 69698-60-8 69698-60-8 91538-83-9 91538-83-9

Table

7.1

Entry*

cs

(N

cnOS

<N

Ti- On

<N

«n

On 1296 1297 00

On

(N

OS

ON oCO oCO

COoCO SCO

»noCO\ooCO oCO

00oCOONoCO or—

CO CO

CNCO

CO

CO CO

in

CO

NO

CO CO

00

CO 1319 oCNCO

75
Phase

en CO m en CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO

00 vO in CO 00 NO s

CO 00 NO in CO oo NO CO (N 00 CO cs —

00

(u O1 o1 o1 o1 o1 o O1 o o O o o o O o o o o O O O o o o o o o

B

73

M-l

rrl w M-l

1 w1 W1 W1 1 1 M-l1 w w

1 W1 W1 tM1 w1 w1 1 1 u

1 PQ1 1 W

1 u O O O o O o o O O O o o o O o o o o o o o o o

> fS o (S CO <N 'O 00 00 1-H On in o m CO in in NO o 'O en cs On rvi CO CO 1-H c4 C4 rj 00 CO CO CO in CO cs

remp Ue

>n o in

1—1 in oin

in o

1-H

•n

<s in oin mr-- o

1-H

in

cs in

CS oin

in oo

in

1-H in

CN oin

in oo1-H

in

1-H in oin

in o 125 iin

nued

rans,

contii

Method

I.]

1 ba s CO CO en cn m CO CO CO CO co CO CO CO CO CO CO CO CO CO CO CO CO CO CO co CO CO CO g 1

r~ r~ rQi u

u ''t ^" ^' ^" ^'

"o r>~ r-- s

cn m CO CO CO CO CO CO CO CO CO co CO CO CO CO CO CO CO CO CO CO CO CO CO co

c c c c c c c B c B B B B B B

fura fura fura a <a a a a a a

.sUfur fur fur fiir fur fur fur 2

fur fur fur fur fur fur fur fur fur fiir fur fur fur fur fur fur fur o o o o o o o o o o o o o o o o o o o o o o O o o o o o o N N N N N N N N N N N N N N N N N N N N N N N N i

N s: N S L C C C C C C C C C c C C C C C C C C C C B B B B B B B B u u u (L> <u <L> u u u u !> u U U <U U U U (U U

mm

.O JO JD X) Xi X) 3 •3 •3 "3 -3 -3 '"3

'•B •3 •3 "3 •3 '•B '•B '•B •3 =3 o z 1 2

o o o o o O o o 2o o o o o O o o o oIh oI-I oI-I oIh 2 2 2

oI-I 2 2 a a

I-I _o

I-I _o _o

ii _oI-I _oIH _o

I-I _o u

_o _o

V- _o

I-I _oIH IH IH _o

iH _oI-I _o _o _o o _o _o _o _o _o a

: Ic IS Is 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2

o o u o o o o u o o o o o o o o <j CJ CS !^ ca a CJ CO CS C3 C8 C3 CO C8 C3 CO X X X X X X X X X X X X X X X X X X X X X X X X X X X X X u u u u u u D <u o u o <u u u u u o <u u u U <u u OC ad I I DC T' X a X X X X X X X X DC

1 a: X1 X X1 a: X1 X X 1 On On

1 On oo1 oo 001 00

1 001 On. CTN CTN CTN 00 oo_^

1 00 On On ON On^ ON 00 00 co_ CTN -o vd r-' t-T r-" r-' oo' oo' oo' OO oo' r-' r-' r-' r~-' r~-' r-' ^^ no' no" NO NO^ NO^ NO^ NO^ NO no' so' no' no' no'

pressur

en <^ rn CO CO CO CO CO CO CO CO CO co' fO' CO CO^ CO CO' CO ro' *' *' ^' '*' ri ri r4" (N fS cs cs rJ c^r Csf (S (S ri (N r4" cs' cs cs ri CS CN

On On ON OS ON On On O O O O On ON ON ON On 00 OO 00 00 00

1 1 r1 O1

Vapor

1 i CO1 NO NO NO NO1 1 1 1 1 1 1 1 1 1 00

i oo 001 001 00

1 O1 O o o o CM 00 oo 00 (S <N (S (S 00 00 oo oo 00 CO CO CO CO CO

1 O1 1 oo

1 oo1 oo1 00 001 001 00i 001 001 001 00 oo

I oo1 1 i r1 00 00 00

1 001 oo1 1 (N CN (N (N en m in in in in CO CO CO CO CO •-H On On On ON ON NO NO NO NO NO in m NO NO NO NO NO in in in in in 1-H 1-H ^H in in in in m NO

• 1-H 1—1 o o o o o hH in in m in m r- r~ m

a\ On On r- ON ON ON ON On m in in m m r- r~- r~- r- NO NO NO NO NO r-

• m NO 00 On o cs CO in NO 00 ON o CO »n NO r- OO ON h

(N cs (N (N <N CO CO CO CO CO CO CO CO CO CO en m en CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO Ta

76
Phase 1

Ref.# CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO CO ro ro CO CO 'it CO CO CO CO

Value 5.90E-06 2.50E-04 6.20E-03

l.OOE-01

2.40E-08 1.70E-06 6.40E-05 1.50E-03 2.40E-02 3.10E-08 2.20E-06 8.70E-05 2.10E-03 3.40E-02 2.60E-08 1.90E-06 7.30E-05 1.70E-03 2.80E-02 4.70E-09 4.30E-07 2.00E-05 5.80E-04 1.20E-02 2.24E-06 7.70E-09 7.20E-07 3.60E-05

l.OOE-03

Temp eU o o *n

«s «n

ts oW-i 8

m<s

in oin in o in in

cs oin

in

c-~ o mCO

T—

in

CO om

m o in

CO mCO

in

CO oin

in

r~ o

'9s

e r^

rans,

contii

Method

LI

1

dibenzofu Molecular

Wt.

(amu)

374.73 374.73 374.73

374.73

[

374.73 374.73

:

374.73

1

374.73

i

374.73

374.73 i

374.73 374.73 374.73 374.73 374.73 374.73 374.73 374.73 374.73 409.15 409.15 409.15 409.15

409.15

!

409.15 409.15 409.15 409.15 409.15

).

Vapor

pressure

data,

Pa,

polychlorinated

Common

Name

1

,2,4,6,7

,9-Hexachlorodibenzofuran 1,2,4,6,7,9-Hexachlorodibenzofuran

1

,2,4,6,7,9-Hexachlorodibenzofuran

1

,2,4,6,7,9-Hexachlorodibenzofuran 1,2,4,6,8,9-Hexachlorodibenzofuran 1,2,4,6,8,9-Hexachlorodibenzofuran

1,2,4,6,8,9-Hexachlorodibenzofliran

1,2,4,6,8,9-Hexachlorodibenzofuran 1,2,4,6,8,9-Hexachlorodibenzofuran 1,3,4,6,7,8-Hexachlorodibenzofuran

1

,3

,4,6,7

,

8-Hexachlorodibenzofuran 1,3,4,6,7,8-Hexachlorodibenzofuran 1,3,4,6,7,8-Hexachlorodibenzofuran 1,3,4,6,7,8-Hexachlorodibenzofuran 2,3,4,6,7,8-Hexachlorodibenzofuran 2,3,4,6,7,8-Hexachlorodibenzofuran 2,3,4,6,7,8-Hexachlorodibenzofuran 2,3,4,6,7,8-Hexachlorodibenzofuran 2,3,4,6,7,8-Hexachlorodibenzofuran

1,2,3,4,6,7,8-Heptachlorodibenzofuran 1,2,3,4,6,7,8-Heptachlorodibenzofuran 1,2,3,4,6,7,8-Heptachlorodibenzofuran 1,2,3,4,6,7,8-Heptachlorodibenzofuran 1,2,3,4,6,7,8-Heptachlorodibenzofuran 1,2,3,4,6,7,8-Heptachlorodibenzofuran 1,2,3,4,6,8,9-Heptachlorodibenzofuran 1,2,3,4,6,8,9-Heptachlorodibenzofuran 1,2,3,4,6,8,9-Heptachlorodibenzofuran 1,2,3,4,6,8,9-Heptachlorodibenzofuran

CAS# 75627-02-0 75627-02-0 75627-02-0 75627-02-0 69698-59-5 69698-59-5 69698-59-5 69698-59-5 69698-59-5 71998-75-9 71998-75-9 71998-75-9 71998-75-9 71998-75-9 60851-34-5 60851-34-5 60851-34-5 60851-34-5 60851-34-5 67462-39-4 67462-39-4 67462-39-4 67462-39-4 67462-39-4 67462-39-4 69698-58-4 69698-58-4 169698-58-4

69698-58-4

ble

7.1

Entry* o

m roi

csm

COcn ro

in

«nm

vo

in

ro

>n

00

»n

CO

ONm

ovo

cn

vo

CO

CMVO

CO

vo vo

ro mvo

CO)

vo

VOm

vo

ro

oo

voCO

ON

VO

ro or-ro ro

CM

i>ro

roro ro

in

r-ro

vo

CO

1 CO 1378 H J

77
en

rs

9

.so

©

a

Vi

a.o&

s
Table 8. Physical constant data for agrochemicals

79
JS

(Jou

Mlr Is

"o

Vi

Vi9O

a"

X

>^oo X

1) -C

_o

>^oouI CO.

UXDoo

J3X

(L)I CO.

QQQ

QQI WQQI Xoo

ON OS s

80
4»

Ref.# VO so NO

Value

l.OOE-01

2.75E-01 4.00E-02 4.00E-02

l.lOE-01

4.70E-02 6.50E-05

4.00E-I-00

Temp Ue ocs CM o<s o o

I.D.

Method

OS

nicals

Molecular

wt.

(amu)

373.32 389.3 284.8 284.8 284.8 284.8 545.59 335.29

olubility

data,

mg /

L,

agrocher

Common

Name

heptachlor heptachlor

epoxide

hexachlorobenzene

(HCB)

hexachlorobenzene

(HCB)

hexachlorobenzene

(HCB)

hexachlorobenzene

(HCB)

mirex

trifluralin

1.

Aqueous

s

CAS#

76-44-8

1024-57-3 118-74-1 118-74-1 118-74-1 118-74-1

2385-85-5 1582-09-8

Table

8.s

Entry

# oo On o

81
Ref.# so cs cs

»n

so so cs

I-H so so cs cs cs in

cs

4.13E-03 3.08E-03 5.00E-03 3.08E-03 2.29E-02 3.33E-02

l.llE-02

4.80E-03 6.70E-03 2.49E-03 6.70E-03 2.00E-04

l.OOE-04

6.20E-04 1.60E-03 6.20E-04 8.00E-04

l.OOE-03

2.10E-03 2.70E-03 2.10E-03 1.60E-03 1.30E-03 8.30E-04 4.70E-04 1.13E-02 1.13E-02 2.00E-02

ino

U

CO

cs

Temp Uo <N ocs ocs ocs in

cs cs CO

cs

>o

cs CS

>n

cs

>n

(S

oCS ocs

>n

cs «ocs uocs ocs ocs cs CM

>o

cs

in

cs <ocs

in

cs ocs ocs mcs ocs

II.D.

Method

oo 00 00 00_ 00 oo 00 00 r- 00 00 oo r- 00 00 00

Molecular I" 269.77 364.93 364.93 364.92 364.92 364.92 409.78 409.78 409.78 350.59 350.59 320.00 320.05 320.05 320.05 320.05 319.03 319.03 319.03 319.03 319.03 354.49 354.49 354.49 354.49 304.35 304.35 304.35 380.91

).

Vapor

pressure

data,

Pa,

agrochemicals

Common

Name

alachlor

aldrin aldrin aldrin aldrin aldrin cis

-chlordane

cis

-chlordane

trans

-chlordane

chloropyrifos chloropyrifos Q

Q

Q

Q

QQ

ci.

Q

Q

Q

Q

Q

Q

a,

ci

Q

Q

Q

u

Q

Q

W

Q

Q

p,p'

-DDE WQ

Q

ci

p,p'

-DDE HQ

Q

H

Q

Q

H

QQ1

ci

Q

Q1

diazinon diazinon diazinon dieldrin

CAS# 15972-60-8

309-00-2 309-00-2 309-00-2 309-00-2 309-00-2

5103-74-2 5103-74-2 5103-71-9 2921-88-2 2921-88-2

53-19-0 72-54-8 72-54-8 72-54-8 72-54-8

13424-82-6 72-55-9 72-55-9 72-55-9 72-55-9

789-02-6 789-02-6 50-29-3 50-29-3

333-41-5 333-41-5 333-41-5 60-57-1

Table

8.1

Entry*

cs

cs COcs

Ti- cs •n

cs

so

cs

-"^ (S 00

cs

OS

CS oCO

l-H CO

cs

CO COCO CO

wo

CO soCO CO

00CO

c^

CO o

5

T—t 5

cs5

CO5 5

so5 5

005as om

82
a

S

H

Cm

0S

s

"a>

e

O

I wo

p

o

o

Was

cnO

W

in

w

00

ONd00

00

doo

ONd00

cn

a

6

in

ind

in

in

I o

>n

00

in

in in

in in in

O

c

(U

3c«O

§I CO.

ON

I in

I <—

m

00 oo

ON O in vo

00

o3

a,u

J3

00

oI

CI, lU

OO

3

in

o3

I

00

ii T3o

Ol, 0)o3

I

u

00 00

a,

00

00

00

PQU

N

ao

I 00

COO

W

en

O

00

oodOn

PQU

a>a

<u

^3c

<o X)

2o3

X

(U

I 00

0^

O

Wo

q

en

o

so

I 00

I ON

T—

O

in

oo

00dOn

cs

X

(U

o2

o3

X

x:6

X

I 000\

m

O

W

O

00dOn

X

(U X3_o

"o

>^o

o

I 00

On

inoI Wo

o

00

00dOn

CS

u

X

<u

>>uoi-i _o3

X

u

J3

X

u

Xi

>^o

o

o

W>n

O

00

00dON

U

x:X

(U

I CO.

in

00

I On

in

00

I ONm

'it

NO

O

W

CO

O

00

00dON

U

X

u

X3

_oo

2

3

X

(L> JS

I CO.

X

x:

oo

X

On

I ON

00

1 00in

00

00dON

U

X

>^oo

JSX

On

I ON

00

00

in

so

83
Phase

Ref. >n in

<u o o

cnoCSo

s>

2.80E- 1.60E- 3.70E- 1.47Ea

S

H

Ue

»n

<N in

(N in

(N

in

fS

q

thod r- r- rMel

;ular

Wt(amu)

in >n On

fS

Molet inm

CO CO >n

CO

CO

lical

ressure

data,

Pa,

agrochen

Common

Name

mirex cis

-nonachlor

trans

-nonachlor

trifluralin

r

pi

* »n

>n

1 00

b.

Vapo CAS

2385-85- 5103-73- 39765-8< 1582-09

Table

8.1

Entry

#

1480 1481 1482 1483
Phase

drain,

22-24 C

cyclone,

22-24 C

distilled

water

seawater

drain,

22-24 C

cyclone,

22-24 C

distilled

water

seawater

sub.

Arctic

water''* "A4)

u<

t-i aj

ta?

1

3

sinl

Arctic

water'*'* o

1

sub.

Arctic

water''* Bta

i<

U

tao

sml

Arctic

water'*'* >oU

u<

sub.

Arctic

water''* Bta

(J <

'^\^ B

ta

tj tj <

3

to

sml

Arctic

water'*'* >£)o

o

tJ <

Ref. OS 00 oo NO ovn oin 00

'St oo 00 oin Om

a o1 COO1 1 COo1

12E-h01 03E+01

86E-I-01 19E-t-02 42E+0091E-t-00

37E+00 oJ. oA. o o o o o o o o o o o o o o o

Vak

.37E .23E .85E .20E 35E- 66E- .30E- .76E- .28E- .85E- .18E- .14E- .56E- .24E- ,68E- ,68E- .69E- .98E- ,82E- .50E- 16E00 OS On in 00 X] 00 V 1 CO CO CO CO (S 00 r- r- NO

Temp oU CO CO CO

ts

•n

cs O in<s

CO

<s

CO

fS

CO

(S COCM

CO CO

04

CO

CN CO

od

CO

od od

CO

od

COod O o o O(SI oCM 43.5 43.5 43.5 43.5 43.5

q

icals

Method oo 00 (S oo 00 <N <N —

•ochemi

:ulai imu CSOn OSoo oo 00 oo 00

rOO 00r-; ON>n

On

in

On

in

On

in Onm

OSmOS

in

On

in

On

in ONm

ON

in

OnmOn

in

On

in ONm

Molec OnOcs

Os OS

NO

(N

OnNO

cs NO

CO

NO

CO

OnOOnOONoOnOONoOSoOnO

d>n

CO dinCO dinCO d»nCO din

CO dinCO dmCO dinCO din

CO din

CO dinCO dinCO dinCO dinCO dinCO

nol,

a;

Pai Nan 3 non (U 4)

iw

constant

d Eo

alachlor alachlor alachlor alachlor

aldrin aldrin cis

-chlordane

cis

-chlordane

trans

-chlordar

trans

-chlordar

trans

-chlordar

trans

-chlordar

trans

-chlordar

chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos chlorpyrifos

:.

Henry's

la

CAS# 15972-60-8 15972-60-8 15972-60-8 15972-60-8

309-00-2 309-00-2

5103-74-2 5103-74-2 5103-71-9 5103-71-9 5103-71-9 5103-71-9 5103-71-9 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2 2921-88-2

ble

8.C

itry #

00 in

oo

NO

00

r00 00

00 On

00 oOn On On

CO

On ON

inOn NO

ON

rOS

00OSOn

ON o

in om

CMoin

COo>n oin

inoin

NOoin

t~- om

00omOnOin o

m in Ta

85
0)

>

B

H

s

OI w

u

(/I

en

o

W

o

(J i

X!o

u

o

B

St s

cB(Aso

>»

Inc:

H

3u

o

-4-1

9

s

Ond

<

I—

ONd

•c

I oo

00

(S

I 00

00

OS

oI u

CO

o

PL) O

oC4

o

so

o

+Woo

so

8

+

o

OSd

8

d

CO

o

d

en

o

d

o

o\

en

•c

u

1/5

•c

J3

I oo00

OS

i-H

Q

Q

9

Q

QQ

'exEX

Q

Q

Q QQ

"ex

PQQ

Q

OS

00

I

roo

I

OS

vO

I csoo4

o

OS

I m

4>

I3

o

o

+

pqQ

Q

o

+

OSSO

" o

PQQ

QI "ex

CM

cI

00

o

U00

OS

oo

en

Q

QI

"ci, EX

I OS

I o

IT)

CO

c<^

cs

u

u

oo

CNo

cs

00

CI

c<^

CT) cn

so

cs

OS

CSoI pq

so

+

pq

cs

ocs

cs

+

pq

oo

00

cn Ond00

CO

OSdooCO

cs

I oso

2

I oso

OS

cs

U-1

o

+

pqOS

CS

ocs

csOS

soo

o

c

O

B

OO

I 00

OS

I On

OnOCO

+WCOso

NO

O

cs

+Wcso

cs

csOn

SOO

o

c

0)

S3O

-oc

00

I 00

On

I OS

On

CSOS

soO

oC

3

O

T3C

00

00OS

I OS

OS

csCO

es

en

8

+

pq

cs

cs

ocs

csOS

soo

9o

c

I CO.

OS

I so

I CO

csCO

CO

ocs

cs

cso

q

SO

CSo

pqoCO

CO

cs

cso

+

pqCO

CO

cs

a,

so

cso

+

pq

cs

ocs

cs

+

pqcs

cs

cs

<Js soO

CSOndOO

CO

CSOnd00COcs

CO

COCO

cs

CO

CO

CO

CO

OS

oo

CO

3o

B

3

O

c

I ca

-a

"><o

o.

On

I mso

I CO

csCO

CO

CO

00

I ocs

I cs

00

I ocs

I cs

SO

CO

oo

I

NO

a.

J3oB

J3

00

I

I so

00

CO

CO

I mI cso

On

CO

86
a>

a,BH o+o

soO+aoqo

COo+

so 3 oJ

00oo00

00

oo

00 s

Mlcos

0)

00

JiH s

PQU

c:NC

0) X)oXI oo

PQUXucuNcu

X)o

J3X

00

PQUc

1)NC

(U XIou

(«Xu

005 oO+

CO

oo

oo

PQUX

<ucuNc

0) XoX

00 oo+w

00

00

CM

PQUX

(Uc

0)NcX2u

e«XU

43

00

so

COo+

»o oCO+

so

0000

cs

oo

00

PQUX

<ocNcXo

J3

r-I 00

PQUX

(UBUNB

0) XoXI 00

00 I 00

a\ o

so

CO 5

CS 5X

(U

>%oo 5ow

r4 5

cs

CO COX

a>oo

>.oo

cs5 ^

cs I3(S o+

00O

CO

cs

CO CO+

CO

(SX«oo(SX

<uoo 5+

(S

CO

cs

CO

00dOS

cs

--H cs

so so

in in 5+

PL) r-

(SCO

inX

J3

soI 00I a\CO 5+

PL) OS

ON

in

<s

CO

00dOS

<sXUX

>>oo

JSX

soI ooI OS

CO

soWocsocs

cs

CO

00dOS

csuXoo

CO

00d

0\

(SXuo

>%oooX

0) .BI oo. m00I OS

CO 5oI w

cs

ind

cs

CO

00dOS

csXUX

(U -BooXV

0\

OS

00

00

in

so

soin

87
5 5 5 5

u9

00 00

o

Oi-i

c3

a

•4—

o

oo

001

noS

C

o

c

a;

H

o

o

o

o

X

<u

X

oo

ss

a>

u

o

X

a> JS X<u

o

o

I

us

i

88
• ^so

x:o2

T3

C/3 Coo

od3H 1

base

water"*'

u

twater water water -24 C

2-24 C o o CO •a c^ i ne,2 t> C < < o

sml cn

•a eye

00 00 oo

Re

O

ilue o o o o o o o + + + + + -1- + w pq W w M PJ >

oo 00 NO

On' in in

q ON

in

so so

in

,410

C^J fO

aS

in in o o CO CO CO

Tei ts C^ cs cs cs

si

Am

B

po NT 00 00 cu

ree § uX

L.L.

Mi

mesh j1

mes

U

u s n as ON 0\ On On OS ON

steel

ecu i

vn in

cs

in

CSin

C4incs

in

cs

in mp

CO

C/5

uc u © CO CO CO CO CO CO E on 3

inles e

OJ

m CO CO CO CO CO CO 3

O.

les

a Co 00

ble c X

u

"55

ersi (060 Oh' E EXs

ising

subi usir

U«

(/3 ;Ric «t60 ted 00c S u 'So 1

S, Z S 3 "o

on

a "ou cted o 00 S u uu

<o o lUIO "o

wat col

e-w emj c c .G G _c .c .5 uu 1 u

"o

ter. hoi Ch 3 JS

e-wa >^

on 1 13 S 1 a

wa s X

•s

u "o

X

00

>» £ B

C s • C•«-» •s "o 00

6£)

X

Chukchi

•co

00 00 00 001 001 00 001 Sea

wl

Berin li

Sea

es

des(

On ON Ov ON On On On

C

yer

uU

u

B

O o o OOO

O o S 1 (N 1 cs 1 <s cs 1 CS 1 CS 1 CS e

Den J2 3

icrola

rctic 1

00

>n

00moom00m00

in

00in

00m icro

Xu pro<

QO c^ ing

face n E <

ble ON

On 8 o o

COo s

ino Vl (/I

p I* >n so NO so NO so NO X3 X3 1

(/3 c/l tA

H cs

89
5. REFERENCES

5.1 Cited references

(1) May, W. E.; Wasik, S. P.; Freeman, D. H. Anal. Chem. 1978, 50, 175.

(2) Mackay, D.; Shiu, W. Y. J. Chem. Eng. Data 1977, 22, 399.

(3) Barone, G.; Crescenzi, V.; Liquori, A. M.; Quadrifoglio, F. J. Phys. Chem. 1967, 71,

2341.

(4) Bohon, R. L.; Claussen, W. F. /. Am. Chem. Soc. 1951, 73, 1571.

(5) Klevens, H. B. 7. Phys. Chem. 1950, 54, 283.

(6) Wauchope; Getzen, F. W. J. Chem. Eng. Data 1972, 17, 38.

(7) Davis, W. W.; Krahl, M. E.; Clowes, G. H. A. J. Am. Chem. Soc. 1942, 64, 108.

(8) Banerjee, S.; Yalkowsky, S. H.; Valvani, S. C. Environ. Sci. Technol. 1980, 14, 1227.

(9) Haque, R.; Schmedding, D. Bull. Environ. Contam. Toxicol. 1975, 14, 13.

(10) Dunnivant, F. M.; Eizerman, A. W.; Jurs, P. C; Hasan, M. N. Environ. Sci. Tehcnol.

1992,2(5,1567.

(11) Dickhut, R. M.; Andren, A. W.; Armstrong, D. E. Environ. Sci. Technol. 1986, 20, 807.

(12) Friesen, K. J.; Vilk, J.; Muir, D. C. G. Chemos. 1990, 20, 27.

(13) Rordorf, B. F. Chemos. 1989, 18, 783.

(14) Bidleman, T. F. Anal. Chem. 1984, 56, 2490.

(15) Burkhard, L. P.; Armstrong, D. E.; Andren, A. W. J. Chem. Eng. Data 1984, 29, 248.

(16) Mackay, D.; Shiu, W. Y.; Sutherland, R. P. Environ. Sci. Technol. 1979, 13, 333.

(17) Sonnefeld, W. J.; Zoller, W. H., May, W. E Anal. Chem. 1983, 55, 275.

(18) Westcott, J. W.; Simon, C. G.; Bidleman, T. F. Environ. Sci. Technol. 1981, 15, 1375

(19) Friesen, K. J.; Sama, L. P.; Webster, G. R. B. Chemos. 1985, 14, 1267.

(20) Dunnivant, G. M.; Eizerman, A. W. Chemos. 1988, 17, 525.

(21) Miller, M. M.; Ghodbane, S.; Wasik, S. P.; Tewari, Y. B.; Martire, D. E. J. Chem. Eng.

Data 19S4, 29, IS4.

(22) Doucette, W. J.; Andren, A. W. Chemos. 1988, 17, 243.

90
(23) Shiu, W. Y.; Doucette, W.; Gobas, F. A. P. C; Mackay, D.; Andren, A. W. Environ. Sci.

Technol. 1988, 22, 651.

(24) Eitzer, B. D.; Kites, R. D. Environ. Sci. and Technol. 1988, 22, 1362.

(25) Nirmalakhandan, N. N.; Speece, R. E. Environ. Sci. Technol. 1989, 23, 708.

(26) Mackay, D.; Mascarenhas, R.; Shiu, W. Y.; Valvani, S. C; Yalkowsky, S. H. Chemos.

1980, 9, 257.

(27) Dunnivant, F. M.; Coates, J. T.; Elzerman, A. W. Environ. Sci. Tech. 1988, 22, 448.

(28) Eganhouse, R. P.; Calder, J. A. Geochim. Cosmochim. Acta. 1976, 40, 555.

(29) Yamasaki, H.; Kuwata, K.; Kuge, Y. Chem. Soc. Jap. 1984, 8, 1324.

(30) Hansen, K. C; Zhou, Z.; Yaws, C. L., Aminabhav, T. M. /. Chem. Eng. Data 1993, 38,

546.

(31) Robbins, G. A.; Wang, S.; Stuart, J. D. Anal. Chem. 1993, 65, 31 13.

(32) Dewulf, J.; Drijvers, D.; van Langerhove, H. Atmos. Environ. 1995, 29, 323.

(33) Fendinger, N.J.; Glotfelty, D.E. Environ. Toxicol. Chem. 1990, 9, 731.

(34) Santl, H.; Brandsch, R.; Lugwig, G. Chemos. 1994, 29, 2209.

(35) Brunner, S.; Homung, E.; Santl, H.; Wolff, E.; Piringer, O.G. Environ. Sci. Technol.

1990,24, 1751.

(36) ten Hulscher, T.E.M.; van der Velde, L.E.; Bruggeman, W.A. Environ. Toxicol. Chem.

1992,77,1595.

(37) Ashworth, R.A.; Howe, G.B.; Mullins, M.E.; Rodger, T.N. J. Haz. Mat. 1988, 18, 25.

(38) Chiou, C.T.; Freed, V.H.; Schmedding, D.W.; Kohnert, R.L. Environ. Sci. Technol. 1977,

77, 475.

(39) Murphy, T.J.; Mullin, M.D.; Meyer, J.A. Environ. Sci. Technol. 1987, 27, 155.

(40) Tse, G.; Orbey, H.; Sandler, S.I. Environ. Sci. Technol. 1992, 26, 2017.

(41) Alaee, M.; Whittal, R.M.; Strachan, M.J. Chemos. 1996, 32, 1 153.

(42) Montgomery, J. Agrochemicals Desk Reference Environmental Data; Lewis Publishers:

Chelsea, MI, 1993.

(43) Yin, C.; Hassett, J.P. Environ. Sci. Technol. 1986, 20, 1213.

(44) Kucklick, J. R.; Hinckley, D.A.; Bidleman, T.F. Mar. Chem. 1991, 34, 197.

91
(45) Verschuren, K. Handbook of Environmental Data on Organic Chemicals; VanNostrand

Reinhold Co.: New York, NY, 1983.

(46) Suntio, L.R.; Shiu, W.Y.; Mackay, D.; Seiber, J.N.; Glotfelty, D. Rev. Environ. Contam.

Toxicol. 1988, 103, 1.

(47) Rice, CP.; Chemyak, S.M.; McConnell, L.L. J. Agri. Food Chem. 1997, 45, 2291

(48) Fendinger, N.J.; Glotfelty, D.E.; Freeman, H. Environ. Sci. Technol. 1989, 23, 1528.

(49) Fendinger, N.J.; Glotfelty, D.E. Environ. Sci. Technol. 1988, 22, 1289.

(50) Atlas, E.; Foster, R.; Giam, C.S. Environ. Sci. Technol. 1982, 16, 283.

(51) Hinckley, D.A.; Bidleman, T.F.; Foreman, W.T.; Tuschall, J.R. J. Chem. Eng. Data 1990,

35, 232.

5.2 Reviewed references (not cited in data tables)

(52) Achman, D. A.; Hombuckle, K. C.; Eisenreich, S. J. Environ. Sci. Technol. 1993, 27, 75.

(53) Andrews, L. J.; Keefer, R. M. J. Am. Chem. Soc. 1950, 71, 3644.

(54) Atlas, E.; Foster, R.; Giam, C. S. Environ. Sci. Technol. 1982, 16, 283.

(55) Banerjee, S. Environ. Sci. Technol. 1985, 19, 369.

(56) Banerjee, S.; Howard, P. H. Environ. Sci. Technol. 1988, 22, 839.

(57) Bidleman, T. F.; McConnell, L. L. Sci. Tot. Environ. 1995, 759, 101.

(58) Boyland, E.; Green, B. Br. J. Cancer 1962, 16, 347.

(59) Burkhard, L. P. Ph.D. Thesis, University of Wisconsin-Madison, 1984.

(60) Burkhard, L. P.; Armstrong, D. E.; Andren, A. W. Environ. Sci. Technol. 1985, 19, 590.

(61) Burkhard, L. P.; Andren, A. W.; Armstring, D. E. Environ. Sci. Technol. 1985, 79, 500.

(62) Carroll, J. J. Chem. Eng. Prog. 1991, 87, 48.

(63) Coe, D. A. J. Chem. Info. Comp. Sci. 1995, 35, 168.

(64) Deno, N. C; Berkeimer, H. E. J. Chem. Eng. Data 1960, 5,1.

(65) Dextere, R. N.; Pavlou, S. P. Mar. Chem. 1978, 6, 41

(66) Dickhut, R. M.; Andren, A. W.; Armstrong, D. E. Environ. Sci. Technol. 1987, 27, 926.

(67) Dickhut, R. M.; Gustafson, K. E. Environ. Sci. Technol. 1995, 29, 1518.

(68) Doskey, P. V.; Andren, A. W. Environ. Sci. Technol. 1981, 75, 705.

(69) Falconer, R. L.; Bidleman, T. L. Atmos. Environ. 1994, 28, 547.

92
(70) Fendinger, N. J.; Glotfelty, D. E.; Freeman, H. P. Environ. Sci. Technol 1989, 23, 1528.

(71) Forman, W. T.; Bidleman, T. F. /. Chrom. 1985, 330, 203.

(72) Ghonasgi, D.; Llano-Restrepo, M. /. Chem. Phys. 1993, 98, 5662.

(73) Gossett, J. M. Environ. Sci. Technol. 1987, 21, 202.

(74) Govers, H. A. J.; Luijk, R.; Evers, E. H. G. Chemos. 1990, 20, 287.

(75) Hassett, J.P.; Milicic, E. Environ. Sci. Technol. 1985, 19. 638.

(76) Hawker, D. W. Environ. Sci. Technol. 1989a, 23, 1250.

(77) Hine, J.; Mookeijee, P. K. J. Org. Chem. 1975, 40, 292.

(78) Hoff, J. T.; Mackaay, D.; Gillham, R.; Shiu, W. Y. Environ. Sci. Technol. 1993, 27, 2174.

(79) Hombuckle, K. C; Jeremiason, J. D.; Sweet, C. W.; Eisenreich, S. J. Environ. Sci.

Technol. 1994, 28, 1491.

(80) Isnard, P.; Lambert, S. Chemos. 1989, 18, 1837.

(81) Iwata, H.; Tanabe, S.; Sakal, N.; Tatsukawa, R. Environ. Sci. Technol. 1993, 27, 1080.

(82) Japas, M. L.; Levelt, S. J. M. H. AIChE J 1989, 35, 705.

(83) Jeremianson, J. D.; Hombuckle, K. C; Eisenreich, S. J. Environ. Sci. Technol. 1994, 28,

903.

(84) Kenaga, E. E.; Goring, C. A. I. In American Society for Testing and Materials, Third

Aquatic Toxicology Symposium; Dow Chemical, Midland, Michigan: New Orleans, LA,

1978.

(85) Kollig, H. P.; Kitchens, B. E. Toxicol. Environ. Chem. 1990, 28, 95.

(86) Lange Lange's Handbook of Chemistry; 13 ed.; McGraw-Hill, Inc.: New York, 1985.

(87) Lee, M. C.; Chian, E. S. K.; Griffin, R. A. Water Res. 1979, 13, 1249.

(88) Leo, A.; Hansch, C.; Elkins, D. Chem. Rev. 1971, 71, 525.

(89) Li, A.; J., D. W.; Andren, A. W. Chemos. 1994, 29, 657.

(90) Lincoff, A.H.; Gossett, J.M. In Gas Transfer at Water Surfaces; Brusasert, W., Jirka,

G.H., Eds.; D. Reidel Publishing Co.: Dordrecht, Holland, 1984, p 17.

(91) Louch, D.; Motlaghs, S.; Pawliszyn, J. Anal. Chem. 1992, 64, 1 187.

(92) Lu, P. Y.; Metcalf, R. L.; Carlson, E. M. Environ. Health Persp. 1978, 24, 201

.

(93) Mackay, D.; Wolkoff, A. W. Environ. Sci. Technol. 1973, 7, 61 1

.

93
(94) Mackay, D.; Leinonen, P. J. Environ. Sci. Technol. 1975, 9, 1 178.

(95) Mackay, D.; Shiu, W. Y. J. Chem. Eng. Data 1977, 22, 399.

(96) Mackay, D.; Shiu, W. Y. J. Phys. Chem. Ref. Data 1981, 10, 1 175.

(97) Mackay, D.; Shiu, W. Y. J. Phys. Chem. Ref. Data 1981, 10, 1 175.

(98) Mackay, D.; Paterson, S.; Schroeder, W. H. Environ. Sci. Technol. 1986, 20, 810.

(99) Mackay, D.; Shiu, W. Y.; Ma, K. C. Illustrated Handbook ofPhysical-Chemical

Properties and Enviommental Fate for Organic Chemicals; Lewis Publishers, Inc.:

Chelsea, Michigan, 1992; Vol. 1.

(100) Mackay, D.; Shiu, W. Y.; Ma, K. C. Illistrated Handbook of Physica-Chemical

Properties and Environmental Fate for Organic Chemicals', Lewis Publishers, Inc.:

Chelsea, Michigan, 1992; Vol. 2.

(101) May, W.E.; Wasik, S.P., Freeman, D.H. Anal. Chem. 1978, 50, 997.

(102) McConnell, L. L.; Cotham, W. E.; Bidleman, T. F. Environ. Sci. Technol. 1993, 27, 1304.

(103) Meylan, W. M.; Howard, P. H. Environ. Toxicol, and Chem. 1991, 10, 1283.

(104) Murphy, T. J.; Pokojowczyk, J. C; Mullin, M. D. In Physical Behavior ofPCB's in the

Great Lakes; D. Mackay, Ed.; Ann Arbor Science: Ann Arbor, MI, 1983; p 49.

(105) Murray, J. M.; Pottie, R. F.; Pupp, C. Can. J. Chem. 1974, 52, 557.

(106) Nielsen, F.; Olsen, E.; Fredenslund, A. Environ. Sci. Technol. 1994, 28, 2133.

(107) Nirmalakhandan, N. N.; Speece, R. E. Environ. Sci. Technol. 1988, 22, 1349.

(108) Oliver, B. G. Chemos. 1985, 14, 1087.

(109) Opperhuizen, A.; Benecke, J. L; Parsons, J. R. Environ. Sci. Technol. 1987, 21, 925.

(110) Opperhuizen, A.; Gobas, F. A. P. C; Van der Steen, J. M. D.; Hutzinger, O. Environ. Sci.

Technol. 1988, 22, 638.

(111) Pearlman, R. S.; Yalkowsky, S. H.; Banerjee, S. J. Phys. Chem. Ref Data 1984, 13, 555.

(112) Perona, M. J. Atmos. Environ. 1992, 26A, 2546.

(113) Renberg, L.; Sunstrom, G.; Sundh-Nygard, K. Chemos. 1980, 9, 683.

(1 14) Roberts, P. V. Environ. Sci. Technol. 1984, 18, 894.

(115) Rordorf, B. F. Chemos. 1985, 14, 885.

(116) Rordorf, B. F.; Sama, L. P.; Webster, G. R. B. Chemos. 1986, 75, 2073.

94
117) Rordorf, B. F. Thermochimica Acta 1987, 112, 1 17.

:i 18) Rordorf, B. F.; Sama, L. P.; Webster, G. R. B.; Safe, L. M.; Lenoir, D.; Schwind, K. H.

Hutzinger, O. Chemos. 1990, 20, 1603.

:i 19) Rossi, S. S.; Thomas, W. H. Environ. Sci. Technol. 1981, 75, 715.

:i20) Ruepert, C; Grinwis, A.; Govers, H. Chemos. 1985, 14, 279.

121) Russell, C. J.; Dixon, S. L.; Jurs, P. C. Anal. Chem. 1992, 64, 1350.

122) Sabljic, A.; Gusten, H. Chemos. 1989, 79, 1503.

123) Sagebiel, J. C; Seiber, J. N.; Woodrow, J. E. Chemos. 1992, 25, 1763.

;i24) Schwarzenbach, R. P.; Gschwend, P. M.; Imboden, D. M. Environmental Organic

Chemistry, Wiley Interscience: New York, 1993.

125) Schwarz, F. P. Anal. Chem. 1980, 52, 10.

:i26) Shiu, W. Y.; Mackay, D. J. Phys. Chem. Data 1986, 75, 91 1.

;127) Shiu, W. Y.; Ma, K. C; Mackay, D.; Seiber, J. N.; Wauchope, R. D. Rev. Environ.

Contamin. Toxicol. 1990, 776, 1.

128) Staudinger, J.; Roberts, P.V. Critical Reviews in Environ. Sci. Technol. 1996, 26, 205.

129) Tancrede, M. V.; Yanagisawa, Y. J. AWMA 1990, 40, 1658.

130) Tataya, S.; Tanabe, S.; Tatsukawa, R. In Toxic Contamination in Large Lakes, Vol 111;

Schmidtke N.W., Ed.; Lewis Publishers: Chelsea, MI, 1988; p 237.

131) Valsaraj, K. T. Chemos. 1988, 77, 875.

;i32) Wise, S. A.; Bonnett, W. J.; Guenther, F. R.; May, W. E. J. Chromatogr. Sci. 1981, 79,

457.

133) Yalkowsky, S. H.; Valvani, J. J. Chem. Eng. Data 1979, 24, 4300.

134) Yalkowsky, S. H.; Mishra, D. S. Environ. Sci. Technol. 1990, 24, 927.

135) Yans, C.-Y.; Haur-Chung-Pan, X. Chem. Eng. 1991, 98, 179.

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