A111Q3 DfifiTEE

NBS SPECIAL PUBLICATION 454

U.S. DEPARTMENT OF COMMERCE / National Bureau of Standards

An Annotated Bibliography of

Compiled Thermodynamic Data Sources

for Biochemical and

Aqueous Systems ri93n in 1975^

a m< m

""A Entropy Data
NATIONAL BUREAU OF STANDARDS

The National Bureau of Standards' was established by an act of Congress March 3, 1901. The Bureau's overall goal is to strengthen and advance the Nation's science and technology

and facilitate their effective application for public benefit. To this end, the Bureau conducts

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the Institute for Computer Sciences and Technology, and the Office for Information Programs.

THE INSTITUTE FOR BASIC STANDARDS provides the central basis within the United Stat^ of a complete and consistent system of physical measuremeijt; coordinates that system

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' Hcadquarlers and Laboralories at GaillK-rsbiirg. Marylaml. unless otherwise noted: mailing address Washinglon. D.C. 20234.

- Located at Boulder, Colorado 80302.
An Annotated Bibliography of

I Compiled Thermodynamic Data Sources for

Biochemical and Aqueous Systems (1930 to 1975)

I Equilibrium, Enthalpy, Heat Capacity, and Entropy Data

George T. Armstrong and Robert N. Goldberg

I Institute for Materials Research

1 National Bureau of Standards

i Washington, D.C. 20234

I

i

U.S. DEPARTMENT OF COMMERCE, Elliot L. Richardson, Secretary

Edward O. Vetter, Under Secretary

Dr. Betsy Ancker-Johnson, Assisiani Secretary for Science and Technology

' NATIONAL BUREAU OF STANDARDS, Ernest Ambler, Aciing Director

Issued September 1976
Library of Congress Cataloging in Publication Data

Armstrong, George Thomson, 1916- An annotated bibliography of compiled thermodynamic data sources

for biochemical and aqueous systems (1930 to 1975)

(National Bureau of Standards special publication ; 454)

Includes indexes. Supt.ofDocs.no.: C13. 10:454

1. Thermodynamics-BibHography. I. Goldberg, Robert N., joint author. II. United States. National Bureau of Standards. Institute for Materials Research. III. Title: An annotated bibliography of compiled

thermodynamic data sources .... IV. Series: United States. National Bureau of Standards. Special publication ; 454. QC100.U57 no.454'[Z5524.T4] (QD511] 602'. Is [016.54r36] 76-608259

National Bureau of Standards Special Publication 454

Nat. Bur. Stand. (U.S.), Spec. Publ. 454, 67 pages (Sept. 1976) CODEN: XNBSAV

U.S. GOVERNMENT PRINTING OFFICE

WASHINGTON: 1976

For sale by the Superintendent of Documents, U.S. Government Printing Office, Washington, D.C. 20402 (Order by SD Catalog No. C13.10:454). Stock No. 003-003-01666-7 Price $1.65

(Add 25 percent additional for other than U.S. mailing).
Fo rewo rd

The National Standard Reference Data System was established

in 1963 for the purpose of promoting the critical evaluation and

dissemination of numerical data of the physical sciences. The

program is coordinated by the Office of Standard Reference Data

of the National Bureau of Standards but involves the efforts of

many groups in universities, government laboratories, and private

industry. The primary aim of the program is to provide compilations of critically evaluated physical and chemical property data.

These tables are published in the Journal of Physical and Chemical

Reference Data, in the NSRDS-NBS series of the National Bureau of

Standards, and through other appropriate channels.

The task of critical evaluation is carried out in various

data centers, each with a well-defined technical scope. A necessary preliminary step to the critical evaluation process is the

retrieval from the world scientific literature of all papers falling

within the scope of the center. Each center, therefore, builds up

a comprehensive well-indexed bibliographical file which forms the

base for the evaluation task. Bibliographies derived from these

files are published when they appear to be of value to research

workers and others interested in the particular technical or prog ramma tic area.

The present effort provides a useful collection of data sources required in solving problems associated with water pollution. The

properties data extracted from the bibliographic sources cited in

this document will help classify the behavior of many of the

specific pollutants found in the water environment.

Further information on NSRDS and the publications which form

the primary output of the program may be obtained by writing to the

Office of Standard Reference Data, National Bureau of Standards,

Wash i ngton , D . C . ZOaS'*

David R, Lide, Jr., Chief

Office of Standard Reference Data

iii
TABLE OF CONTENTS

PAGE

Abstract v

Introduction vi

Bibliography 1

Author Index 35

Subject Index 39

iv
"The cold tables of physical and chemical constants, the base equations in textbooks, form

the hardcore, the residue distilled from individual triumphs of insight, checked and crosschecked by the multiple testimony of general experience"

Gerald Holton

American Scientist, 41, 93 (195 3)

ABSTRACT

Contained herein is a selected and annotated bibliography of sources of compiled and

evaluated chemical thermodynamic data relevant to biochemical and aqueous systems. The

principal thermodynamic properties considered herein are Gibbs energy and equilibrium data,

enthalpies of formation and reaction, heat capacities and entropies, and the corresponding

partial molal properties. Derived quantities used in calculating the above are also

included. Transport and mechanical data have also been identified to a lesser degree.

Included in the annotations to the data sources are brief descriptions of the types of

properties tabulated, the classes of materials dealt with, and the degree of completeness

of the compilations.

Keywords: Aqueous systems; bibliography; biochemical systems; enthalpy data;

entropy data; equilibrium data; Gibbs energy data; heat capacity data; partial

molal properties; thermochemistry; thermodynamics; review articles; water pollution.

V
INTRODUCTION

There is a growing need for reliable thermodynamic data for both scientific and

practical purposes. However, the existence of a desired piece of data in the primary

literature does not guarantee its recovery by an interested user. Indeed the recovery

process may be a decidely non-trivial as well as a time consuming matter. At one time this

problem was, in large part, managed by periodic review articles, monographs, and the

International Critical Tables. The NSRDS, CODATA, and other coordinating organizations

are providing current compilations. However, the preparation of new reviews is

sufficiently complex that there are at any given time many subject areas that do not have

current compilations available. In this circumstance earlier reviews are an important resource for the technologist or scientist. Unfortunately, the proliferation of such

works and the enormity of the available literature have made even the recovery of review and

compilation articles a matter of some difficulty. It is to help solve this problem for one small part of our science that we have prepared this annotated bibliography of

thermodynamic data sources relevant to biochemical and aqueous systems. These two areas

are mutually complementary. In environmental problems such as water quality control, and in

the utilization of aqueous systems with respect to energy resources and the processing of

material resources, the aqueous systems of interest very often include the same substances

and require the same information as in the study of biochemical systems. In addition to information on the aqueous solutions, the properties of the pure substances are often

required in order to establish reference points for interrelating various systems. Thus,

this bibliography is a selective listing of sources of thermodynamic information for pure

substances and aqueous solutions, selected for their particular relevance to these kinds of

problems

.

The entries of the bibliography are listed in alphabetical order by leading author.

A brief description of the contents of each is given to permit the reader to select those

references which will most directly apply to his own needs. Some of the compilations (I) were prepared specifically for use in biochemical or aqueous solution thermodynamics, while others were prepared for a more general thermodynamic audience, but also contain substantial

amounts of data valuable to these two areas; others (III) are of tangential interest and

contain some, but comparatively limited amounts of data specific to either biochemical

or aqueous systems. These three degrees of relevance are indicated by the Roman numerals

I, II, and III, respectively. Thus, each entry in this bibliography will have associated

with it two Roman numerals, the first referring to its relevancy with regards to biochemical

systems and the latter with regard to aqueous systems. This bibliography is intended to be

fairly complete with respect to categories I and II but makes no attempt at completeness in

category III. The authors would appreciate comments from interested readers concerning data sources omitted from this bibliography.

The alphabetical subject index that follows the main section of this bibliography

gives an indication of thermodynamic properties, physical or chemical processes, classes

of substances, and, in a few cases, individual substances for which information is to be

found herein. It is not practical to give an exhaustive index to the contents of the

individual references, hence the absence of a piece of information in the index does not necessarily mean its absence in the references. This is particularly true with respect to particular substances, which the reader should assume are not listed except by chance of

title or abstract.

Grateful acknowledgment is made to Ms. Gail R. Janes who aided in the preparation of an earlier and more limited version of this material (National Bureau of Standards Report

74-535 (1974)), and to several colleagues, and in particular Dr. W. H. Evans (NBS) , who

made helpful comments on this and on the earlier bibliography. This work was supported,

in part by the Office of Standard Reference Data of the National Bureau of Standards.

vi
BIBLIOGRAPHY

1. /Liberty, R. A. I, II Standard Gibbs Free Energy, Enthalpy, and Entropy Changes as a Function of pH, and

pMg for Several Reactions Involving Adenosine Phosphates

Journal of Biological Chemistry, 24A, 3290 (1969)

The standard Gibbs energy, enthalpy, and entropy changes for the hydrolysis of adenosine-5 '- triphosphate to adenosine-5 '-diphosphate are computed as a function of pH and magnesium ion

concentration. A critical evaluation of the relevant literature data is included.

**********

2. Armstrong, G. T., Domalski, E. S., Furukawa, G. T., Reilly, M. L., I, II Wilhoit, R. C, and others

A Survey of Thermodynamic Properties of the Compounds of the Elements CHNOPS - A

Series of Eighteen Reports

(National Bureau of Standards Reports No. 8521, 8595, 8641, 8906, 8992, 9043, 9089,

9374, 9449, 9501, 9553, 9607, 9883, 9968, 10070, and 10291, published during the years

1964 to 1970, U. S. Department of Commerce, Washington, DC 20234)

This series of reports is a survey of the thermodynamic properties of selected compounds of

biological importance containing the elements carbon, hydrogen, nitrogen, oxygen, phosphorous, and sulfur. Included in these reports are heat capacity data; heats and Gibbs

energies of formation; vapor pressure data; tables of thermodynamic functions; Gibbs

energies, entropies and enthalpies of solution and dilution; and thermodynamic properties of mixed solvent systems. References to sources of data in the literature are included.

********* *

3. Ashcroft, S. J., and Mortimer, C. T. II, I Thermochemistry of Transition Metal Complexes

(Academic Press, London, New York, 1970)

This book surveys the literature to 1968 on energy changes for processes involving

transition metal complexes including both organic and inorganic ligands. A critical review

of the thermochemical data for over 1500 systems of complexes is given. Comparable data

from various sources are shown in juxtaposition. Values of ISH, tiG, and AS for various stages

of complex formation are usually listed for processes in aqueous solution. hEf° , A(?f°, t^f°

for crystalline complex substances are given where available. In many instances correlations

of the data for various metals with a single ligand, and for various related complexes of a given metal, are given graphically or by means of bond-energy estimates based on the data.

**********

Baes, C. F., Jr., and Mesmer, R. E. — see entry no. 93

**********

Bates, R. G. — see entry no. 94 **********

4. Battino, R. ^^^» ^ Volume Changes on Mixing for Binary Mixtures of Liquids

Chemical Reviews, 71, 5 (1971)

This critical and extensive review deals with both the volume changes associated with the

mixing of binary mixtures of liquids and partial molal volumes at infinite dilution of

various solvent systems, aqueous and non-aqueous. The temperature range cited is that at which the experimental measurements have been performed. Included is a detailed discussion

of the experimental methods used for measurements and associated theoretical developments.

The coverage of the available literature appears to be very thorough. There are 427

references to the primary literature.

*********

1
5. Battlno, R., and Clever, H. L. The Solubility of Gases in Liquids

Chemical Reviews, 66^, 395 (1966)

III, I

This thorough and detailed review contains a detailed discussion of experimental methods

for the measurement of gas solubilities in all types of liquids, including water. Tabulated

are the solubilities of oxygen, nitrogen, and argon in water at one atmosphere pressure and

from 0 to 50 °C. Also to be found herein is an extensive table listing sources of gas solubility data in the primary literature. Although the tables do not give selected values,

the authors have given their assessment of the reliability of the data to be found in the

listed sources by means of a coding scheme. There are 686 references to the primary

literature

.

More recently, E. Wilhelm and R. Battino (Chemical Reviews, 22> 1 (1973)) have critically

evaluated the solubilities and enthalpies of solution of gases in non-aqueous solvent

systems

.

**********

6. Benson, S. W. Ill, III Thermochemical Kinetics

>fethods for the Estimation of Thermochemical Data and Rate Parameters

(John Wiley and Sons, Inc., New York, London, Sydney, 1968)

This monograph gives tables of necessary data and descriptions of methods of their use for

calculating AHf, Cp, and S at 25 °C for gas phase molecules and radicals and for extrapolating them to higher temperatures. The procedures can be applied to hydrocarbons,

oxygen-containing compounds, nitrogen-containing compounds, haloalkanes, organo-sulfur compounds, and organo-metallic compounds, and deal principally with organic compounds.

*********

7. Benson, S. W., Cruickshank, F. R., Golden, D. M., Haugen, G, R., Ill, III O'Neal, H. E., Rogers, A. S., Shaw, R. , and Walsh, R. Additivity Rules for the Estimation of Thermochemical Properties

Chemical Reviews, 69_, 279-324 (1969)

This lengthy technical article gives procedures for calculating the properties AF^", 5°,

Cp°, for organic compounds in the gas phase. Parameters for calculating Cp are given for the

temperature range from 300 to 1500 K. The availability of ^7p as a function of temperature all

calculation of AHf° and S" at the same temperatures. The necessary constants for making the

calculations are given for individual chemical groupings in some 38 tables. Many classes of

functional groups and molecular conformations are included. Examples are given comparing

calculated and observed values. Agreements of 1 kcal -mol-l (4 kJ-mol~l) or better in Afff° and

1 cal -mol-l 'K-l (4 J-mol'^-K'^) or better in Cp" and S° are generally found.

*********

8. Bichowsky, F. R., and Rossini, F, D. II, II The Thermochemistry of the Chemical Substances

(Reinhold Publishing Corporation, New York, 1936)

Although outdated, this book still provides useful references to the older thermochemical

literature. Tabulated are AHf° values for the elements and their compounds, with the data

for carbon-containing compounds being terminated at two carbon atoms. It should be noted

that the data pertain to a temperature of 18 °C and to diamond, rather than graphite, as the

standard state for carbon. *********

2
9. Bondl, A. Physical Properties of Molecular Crystals, Liquids, and Glasses

(John Wiley and Sons, Inc., New York, London, Sydney, 1968)

III, III

This monograph is designed for the use of chemical engineers to estimate physical properties

needed in design calculations, as well as of physical chemists and synthetic chemists who

need to understand the relationship between structure and physical properties. Correlations

of several kinds are described in the text. These are then restated as methods for estimation of the properties.

Substances considered include non-polar and polar gases, non-polar and polar liquids,

associated liquids, crystalline solids, glasses, polymers, and polymer melts, as well as others. Procedures given include many variants, depending upon the properties given as initial information. Among the properties for which procedures are given are: density,

heat capacity, enthalpy, entropy, enthalpy and entropy of fusion, enthalpy of vaporization,

vapor pressure, cubical thermal expansion coefficient, bulk modulus. Young's modulus

compressibility, thermal conductivity, rotational diffusion constant, relaxation times, mass diffusion, viscosity, and others.

**********

Boublik, T., Fried, V., and Hala, E. - see entry no. 95 **********

10. Brown, H. D. (editor) I, II Biochemical Microcalorimetry

(Academic Press, New York, London, 1969)

This book contains seventeen articles on subjects concerning heat measurements and their

relationship to biology and biochemistry. Several of the articles contain tabulations of

da ta: Author(s) Title of Article

R. C. Wllhoit Thermodynamic Properties of Biochemical Substances

This review includes several tables: (1) Selected values of thermodynamic properties

(Afff°, AGf°, 5°, and Cp°) for about 120 important biochemical species or compounds;

(2) Enthalpies and Gibbs energies of formation of adenosine phosphoric acid species relative

to H2ADP-'-~ at 25 °C; (3) Aff° and AG° f£r six important biochemical processes; and

(4) Partial molal properties (L2, Lj^, C2, and C^) of aqueous glucose, glycerol, glycine, and urea at 25 °C.

S. Ono and K. Takahashl Chemical Structure and Reactions of Carbohydrates

This article has a table of enthalpies of isomerlzation of eleven carbohydrates and a table

giving enthalpies of hydrolysis of aqueous a-l,A and a-1,6 glucosidic linkages In several

glucosldes at 25 °C

.

T. Ackermann Physical States of Biomolecules : Calorimetric

Study of Helix-Random Coil Transitions in Solution

There Is a tabulation of calorimetrlcally determined enthalpy values accompanying

conformational changes of macromolecules in solution (26 references)

.

H. D. Brown Calorimetry of Enzyme-Catalyzed Reactions

Tabulated are calorimetric enthalpy values for enzyme catalyzed systems (21 references)

.
11. Chapman, T. W., and Newman, J. Ill, I

A Con5)ilation of Selected Thermodynamic and Transport Properties of Binary Electrolytes

in Aqueous Solution

(U. S. Atomic Energy Commission Report UCRL-1776 7 (1968))

Data from the literature on the properties of sixty-one common binary inorganic electrolytes

at various temperatures are tabulated with appropriate references. The properties include

the density, viscosity, transference number, diffusion coefficient, and the activity

coefficient.

**********

12. Chariot, G. Ill, I Selected Constants - Oxidation-Reduction Potentials of Inorganic Substances in

Aqueous Solution

(Butterworths , London, 1971)

This reference work, prepared under the auspices of the lUPAC, contains selected values of

electrochemical potentials relative to the assigned zero value of the standard hydrogen

electrode. Entries are given for about 350 inorganic systems. The literature coverage is

through 1967.

**********

13. Christensen, J. J., and Izatt, R. M. II, I Handbook of Metal Ligand Heats and Related Thermodynamic Quantities (second edition)

(Marcel Dekker, Inc., New York, 1975)

This handbook gives tabulated values of thermodynamic functions in aqueous solution.

Enthalpies are given for equilibria involving metal ions and ligands, together with the

related thermodynamic quantities log K, A5, and ACp, where available. The body of the

book consists of a table (414 pp.) in which are summarized the published literature values

up to 1974, classified according to ligand. In addition, the appropriate reaction, the

temperature, the method, and conditions of measurement of t\H are given. Both inorganic and

organic ligands, and complexes of about seventy metallic elements are given. A seven page

guide to the use of the table and indexes is given. The table is indexed by author, by

ligand formula, and by metal. An index of synonyms and a chronological list of references

are also given.

**********

14. Christensen, J. J., Eatough, D. J., and Izatt, R. M. I, II The Synthesis and Ion Binding of Synthetic Multidentate Macrocyclic Compounds

Chemical Reviews, 74, 351 (1974)

This review article contains, in addition to a discussion on the synthesis, kinetic, and

structural parameters, a referenced compilation of log K, tJI, AS, and ACp data for the

interaction of inorganic cations with synthetic multidentate macrocyclic compounds. Each

entry in the table of thermodynamic data includes the temperature, ionic strength, solvent

system, and method of measurement used in obtaining the data.

**********

4
15. Clark, W. M. Oxidation-Reduction Potentials of Organic Systems

(The Williams and Wilkins Company, Baltimore, 1960)

I, II

This 584 page monograph contains a comprehensive discussion on the determination of the

electrochemical potentials of organic systems with emphasis both on theory and experimental

practice. Included are approximately 100 tables of critically evaluated oxidation and re- duction potentials for organic and biochemical systems thru about 1960. Included are the

quinones , phenols, anilines, porphyrins, nicotinamide-adenine dinucleotide , and nicotinamideadenine dinucleotide phosphate systems, and several others. The author has, in most cases, specified the conditions to whic^ the data refer.

**********

16. CODATA Recommended Key Values for Thermodynamics 1975 III, II (CODATA Bulletin No. 17 (1976) and Tentative Set of Key Values for Thermodynamics:

Part V, CODATA Special Report 2» September 1975)

These are reports by the CODATA (Committee on Data for Science and Technology of the

International Council of Scientific Unions) Task Group on Key Values for Thermodynamics in

which are presented recommended values for the quantities ^^Hf° (298.15 K) , S" (298.15 K)

,

and H° (298.15 K) - H° (0 K) for 102 of the thermochemlcally more important elements and

compounds, including some aqueous species. These bulletins supersede earlier CODATA reports

of this group. It should be noted that the recommended values are not fully consistent

with any previously published thermodynamic tables, but are intended to form the basis of

future generations of compilations (also see annotation on compilation by Parker, Wagman,

and Garvin)

**********

17. Coetzee, J. F., and Ritchie, C. D. (editors) II, I Solute-Solvent Interactions

(Marcel-Dekker , New York and London, 1969) .

This book contains three chapters that are relevant to this bibliography. They are:

(1) Larson, J. W., and Hepler, L. G., "Heats and Entropies of Ionization". This chapter

is a detailed review and evaluation of the enthalpies, Gibbs energies, entropies, and heat

capacity changes accompanying ionization of organic acids. Included are eleven tables of

data on various types of acids, including the carboxylic acids, phenols, anilinium ions,

ammonium ions, the amino acids, barbituric acids, and several inorganic acids. The authors

also discuss the interpretation of the data in terms of molecular considerations. The

tabulated data refer to 25 °C and standard state conditions. There are 224 references.

(2) Arnett, E. M., and McKelvey, D. R., "Solvent Isotope Effect on Thermodynamics of Nonreacting Solutes". This is a general and extensive review dealing with differences in

thermodynamic properties between light and heavy water systems. The properties dealt with

include Gibbs energies and enthalpies of transfer and solubilities; systems for which data

are tabulated include the more common inorganic electrolytes and ions, alcohols, amides,

amino acids, and several non-electrolytes.

(3) Laughton, P. M., and Robertson, R. E., "Solvent Isotope Effects for Equilibria and

Reactions". Included in this review are tabulated values giving differences in p^ values

for weak acids in light and heavy water.

**********

5
18. Conway, B. E. Electrochemical Data (Elsevier Publishing Company, New York, 1952)

II, I

This monograph is a comprehensive (359 pp.) collection of data on various aspects of pure

and applied electrochemistry, relating to organic and inorganic substances, both solid and

in solution. Data are presented in tabular form, in ten chapters, introduced with references

to data sources and explanations of approach. Physical properties include densities

and vapor pressures of various aqueous solutions, dielectric constants, dipole moments,

and other properties. Relative partial molal enthalpies and activity and osmotic coefficients,

conductance values, ionic mobilities, transference numbers and diffusion coefficients are tabulated. There is a chapter on dissociation constants, solubilities, and buffer solutions.

The chapter on properties of electric double layers contains tables of electrokinetic

potentials and properties of various interfaces including ones of such biological interest

as the mammalian red blood cell. The biologist would also find relevant the section on transport and general properties of colloids and macromolecular electrolytes, including

extensive tables of mobilities for such compounds as hemoglobins, serum albumins, and red

blood cells, among others. Electrode chemistry tables include a compilation of data on reversible electrode processes: liquid junction potentials, half-cell potentials, and

electrochemical equivalents for certain elem.ents. A chapter on electrode kinetics gives

a critical selection of the available determinations of the parameters of a number of

electrode reactions.

**********

19. Covington, A. K. Ill, I Electrolyte Solutions Bulletin

(University of Newcastle Upon Tyne, 1971 to present)

This is a current awareness bulletin that provides titles and references of "recent papers

covering all aspects of the physical chemistry and structure of electrolyte solutions, the

methods used in these studies Including spectroscopy, equilibrium (but not kinetic processes)

,

electrode systems, pH, ion selective and reference electrodes."

**********

20. Cox, J. D., and Pilcher, G. II, III Thermochemistry of Organic and Organometallic Compounds

(Academic Press, London, New York, 19 70)

This monograph is a critical compilation of thermocheraical data for the title field

published since 1930. The enthalpies of formation of some 3000 substances are listed, with

estimates of error. Where enthalpies of vaporization are known or can be reliably estimated

these are listed and in these cases the enthalpies of formation of both gaseous and condensed

phases are given. Extensive introductory material presents experimental

procedures for reduction of experimental data of the type found In the book. Applications

of thermochemlcal data are given, and there is a section on methods of estimating enthalpies

of formation of organic compounds.

**********

6
21. Domalski, E. S. II, III Selected Values of Heats of Combustion and Heats of Formation of Organic Compounds

Containing the Elements C, H, N, 0, P, and S Journal of Physical and Chemical Reference Data 1_, 221-277 (1972)

Selected values of the enthalpies of combustion and enthalpies of formation of 719 organic

compounds are reported. The selected values are augmented by commentary and original

source references. The Wiswesser Line Notation is also given for each compound. The methods

used in updating older work are described.

**********

22. Dorsey, N. E. II, I Properties of Ordinary Water-Substance

(Reinhold Publishing Corporation, New York, 1940)

This classic book is an exhaustive and critical compilation of the physical properties of

water as reported in the literature through the year 1938. Essentially every physical

property of pure water is covered. Although there is little emphasis on aqueous solutions,

the solubilities and diffusion constants of selected gases in water are treated.

**********

23. Dymond, J. H., and Smith, E. B. . Ill, III

The Virial Coefficients of Gases

(Clarendon Press, Oxford, 1969)

This book is a critical compilation of the virial coefficients of about 280 gases at various temperatures. Included are references to the original sources as well as, in some

cases, standard deviations and estimated inaccuracies for the data.

**********

24. Florkin, M., and Mason, H. I, II Comparative Biochemistry, Volume II. Free Energy and Biological Function

(Academic Press, New York, London, 1960)

This book contains several chapters dealing with the use of Gibbs energy data in biochemistry.

The following chapters contain references to and/or tabulations of thermochemical data:

M. R. Atkinson and R. K. Morton, "Free Energy and Biosynthesis of Phosphates". This chapter

contains a tabulation of Gibbs energies and equilibrium constants for various metabolic

processes involving phosphates. The temperature, pH, magnesium ion concentration, and

appropriate literature references are given.

L. F. Leloir, C. E. Cardini, and E. Cabib, "Utilization of Free Energy for the Biosynthesis

of Saccharides". Included in the discussion are some references to equilibrium data relevant

to the biosynthesis of saccharides.

P. P. Cohen and G. W. Brown, Jr., "Ammonia Metabolism and Urea Biosynthesis". In their

discussion of ammonia metabolism, the authors have used other compilations of thermodynamic

data to compute Gibbs energy changes for these processes.

**********

7
25. Fox, D., Labes, M. M., and Weissberger, A. (editors) II, III | Physics and Chemistry of the Organic Solid State i (Interscience Publishers (Wiley), 1963) ;

E. F. Westrum and J. P. McCullough Chapter 1. Thermodynamics of Crystals

j In addition to discussion of thermodynamic properties of organic substances and their ! measurement, this chapter (178 pp.) gives tables of entropy of fusion, and vapor pressures

and a table of thermodynamic data sources for about 800 organic compounds (798 references) . I **********

26. Franks, F. (editor) II, I Water- A Comprehensive Treatise (in five volumes)

(Plenum Press, New York and London, 1972 to 1975)

This treatise consists of forty-six chapters dealing with water and aqueous solutions.

Although concerned with all aspects of water, several chapters contain extremely useful

summaries of thermodynamic data. Among these are:

Authors Chapter

F. Franks The Properties of Ice

Tabulated are the ionic equilibrium constant and transport properties of ice at -10 °C.

G. S. Kell Thermodynamic and Transport Properties of Fluid

Mixtures

Included is the density of water as a function of temperature, the vapor pressure, specific

heat, partial molal volume, critical properties, and viscosity of water.

K. Todheide Water at High Temperatures and Pressures

This chapter is an extensive tabulation of the high temperature properties of water. Included are the specific volume, fugacity, Gibbs energy and enthalpy of formation, entropy,

viscosity, thermal conductivity, dielectric constant, and ion product of water.

F. Franks and D. S. Reid Thermodynamic Properties

Given are AC°, A^^°, AS'", and ACp° for the solution of hydrocarbons, alcohols, and rare gases

in water.

H. L. Friedman and C. V. Krishnan Thermodynamics of Ionic Hydration

Tabulated are single-ion entropies of about 110 diatomic and polyatomic ions in water; Gibbs energies, enthalpies, and entropies of hydration of monatomic ions at 25 °C; partial

molal volumes of about 120 common ions at 25 °C; ionic partial molal heat capacities of ions;

Gibbs energies of transfer of inorganic electrolytes from H2O to D2O; and calorimetrically

determined enthalpies of solution of salts in H2O and D2O.

8
26. (continued)

Authors Chapter

D. Eagland Nucleic Acids, Peptides, and Proteins

Thermodynamic parameters for coil ->- helix and homopolymer -+ coil helix transitions of

amino acids in aqueous solution are tabulated.

H. L. Anderson and R. H. Wood Thermodynamics of Aqueous Mixed Electrolytes

Included are data on the enthalpies and excess Gibbs energies of mixing of about 24 mixed

electrolyte systems in water. *********

Gedansky, L. M. , and Hepler, L. G. — see entry no. 95 **********

27. Glushko, V. P. (editor), Medvedev, V. A., Bergman, G. A., Gurvich, L. V., II, II and others

Thermal Constants of Substances (Volumes 1 to 7) (In Russian)

(VINITI, Moscow, 1965 to 1974)

This extensive series represents many years of effort by numerous Russian thermodynamicists

engaged in the critical evaluation of thermodynamic data. Included in the tables are carefully selected values of Afff°, AGf", S° , H,^-Hq, and Cp at 298.15 K for the elements and

their compounds including many aqueous species. Also given are dissociation energies of gases and enthalpies of phase changes. There are extensive references to the primary

literature from which the tabulated values were obtained. In the volumes listed, the

elements, in the standard order of arrangement, through hafnium are covered. Carbon and its

compounds are covered up to two carbons atom. The coverage and arrangements of substances

Is similar to that used in the NBS Technical Note 270 series (see Wagman, et al.)

**********

28. Goldberg, R. N., and Hepler, L. G. Ill, II Thermochemistry and Oxidation Potentials of the Platinum Group Metals and Their

Compounds

Chemical Reviews, 68, 229 (1968)

This article is a critical review and selection of thermochemlcal data for the platinum

group metals and their compounds. Tabulated are selected values of Affj", hG^° , S° , and

electrode potentials at 25 °C. There are 212 references to the primary literature.

**********

29. Hamer, W, J. (editor) III, I The Structure of Electrolytic Solutions

(John Wiley and Sons, Inc., New York, 1959)

This book contains several chapters relevant to this bibliography. They are: Authors Chap ter

C. W. Davies Incomplete Dissociation in Aqueous Salt Solutions

Tabulated are values of -log-j^Q^ at 25 "C for the pairing In aqueous solution of eighteen

common Inorganic cations with thirty eight of the more common inorganic and organic anions.

9
29. (continued)

Authors Chapter

E. Lange Heats of Dilution of Dilute Solutions of

Strong and Weak Electrolytes

This chapter contains a discussion of the theoretical interpretation and calculations of

heats of dilution of electrolytes of various charge types with some information on non-electrolytes and weak electrolytes. Data from the literature are presented in graphical

form. Included are data for eighteen inorganic electrolytes and seven inorganic

non-electrolytes at 25 'C.

H. S. Harned Diffusion and Activity Coefficients of

Electrolytes in Dilute Aqueous Solutions

Tabulated are the activity coefficients, obtained from diffusion data, for twenty common

aqueous electrolyte systems at 25 °C.

F. H. Spedding and G. Atkinson Properties of Rare Earth Salts in Electrolytic

Solutions

Tabulated are the equivalent conductances, transference numbers, activity coefficients,

densities and partial molal volxjmes, apparent molal compressibilities, heats of solution

and dilution for the rare earth salts in aqueous solution.

**********

30. Hamer, W. J., and DeWane, H. J. Ill, I Electrolytic Conductance and the Conductances of the Halogen Acids in Water

(NSRDS-NBS 33, U. S. Government Printing Office, Washington, DC, 1970)

This monograph contains a detailed evaluation of equivalent conductance data for hydrofluoric,

hydrochloric, hydrobromic, and hydroiodic acids in water over wide ranges of temperature and

concentration

.

**********

31. Hamer, W. J., and Wu, Y. C. Ill, I The Activity Coefficients of Hydrofluoric Acid in Water from 0 to 35 °C Journal of Research of the National Bureau of Standards, 74A , 761 (1970)

This very detailed review on hydrofluoric acid contains critically evaluated data for the

activity coefficient of HF as a function of molality and temperature (0 to 35 °C)

,

equilibrium constants for the ionic association reactions characteristic of HF, calculated

pH values, and calculated concentrations of the pertinent ions.

**********

32. Hamer, W. J., and Wu, Y. C. Ill, I Osmotic Coefficients and Mean Activity Coefficients of Uni-univalent Electrolytes in

Water at 25 °C Journal of Chemical Reference Data, 1, 1047 (1972)

This evaluation gives values for the osmotic coefficients and mean activity coefficients

of seventy^ine uni-univalent electrolytes in aqueous solution at 25 °C, with values

10
32. (continued)

expressed on the molality scale. The data from the literature were fitted, by statistical

procedures, to equations which express the quantities as functions of electrolyte concentration. Literature references are given to fifty-one additional uni-univalent electrolytes.

**********

33. Harned, H. S., and Owen, B. B. The Physical Chemistry of Electrolytic Solutions (3rd Edition)

(Reinhold Publishing Corporation, New York, 1958)

III, I

This book (about 800 pp.) is a treatise on the physical chemistry of electrolytic solutions

with coverage of both equilibrium and non-equilibrium properties. The book includes tables

of values of the equivalent conductance, dissociation constants, transference numbers,

diffusion coefficients, relative apparent molal heat contents, activity coefficients,

pH values, densities, and activity coefficients for many of the more common inorganic and

organic electrolyte solutions.

**********

34. Harned, H. S., and Robinson, R. A. Multi component Electrolyte Solutions

(Pergammon Press, Oxford, 1968)

III, I

This monograph deals with the theoretical and experimental aspects of multicomponent

and largely inorganic electrolyte solutions, with emphasis upon the measurement and interpretation of activity coefficients, heats of mixing, and volume changes accompanying mixing.

There is a useful bibliography of activity coefficient data for mixed electrolyte systems.

We note, for the reader's information, the following monographs published in the same series

of books and which deal with electrolyte solution:

Author

E. A. Guggenheim and R. H. Stokes

R. H. Stokes and R. Mills

Title of Volume

Equilibrium Properties of Aqueous Solutions of

Single Strong Electrolytes

Viscosity of Electrolytes and Related Properties

E. J. King Acid-Base Equilibria

**********

35. Hawkins, D. T. A Bibliography on the Physical and Chemical Properties of Water

Journal of Solution Chemistry, 4_, 621 (1975)

III, I

This bibliography consists of 1999 references to the literature that deal with physical

properties of pure water or dilute aqueous solutions. The papers are arranged by category

of properties. Categories include thermodynamic properties, transport data, densities,

acoustical, electrical, magnetic, and radiation properties. The bibliography covers the

years 1969 to 1974. An earlier bibliography covering the years 1957 to 1968 was also issued,

but is now out-of-print. These two bibliographies have recently been combined and should be

available from Plenum Press in 1976.

**********

11
36. Hepler, L. G., and Olofsson, G. jj

Mercury: Thermodynamic Properties, Chemical Equilibria, and Standard Potentials

Chemical Reviews, 75, 585 (19 75)

This article is a critical review and selection of thermochemical data for mercury and

about 130 of its compounds primarily inorganic but including many aqueous species.

Tabulated are selected values of ^G^° , AHf°, S° , electrode potentials, and selected

equilibrium constants at 25 "C . There are 251 references to the primary literature.

**********

37. Hill, J. 0., Worsley, I. G., and Hepler, L. G. IH^ II Thermochemistry and Oxidation Potentials of Vanadium, Niobium, and Tantalum

Chemical Reviews, 71, 127 (1971)

This article is a critical review and contains a careful selection of thermochemical data

for vanadium, niobium, and tantalxjm and about 110 of their compounds, including some aqueous

species. Tabulated are selected values of AGf", AH^° , S° , and electrode potentials at

25 "C. There are 121 references to the primary literature.

*********

Ingraham, L. L., and Pardee, A. B. — see entry no. 97

**********

38. Izatt, R. M., Christensen, J. J., and Rytting, J. H. I, II Sites and Thermodynamic Quantities Associated with Proton and Metal Ion Interaction

with Ribonucleic Acid, Deoxyribonucleic Acid, and Their Constituent Bases, Nucleosides,

and Nucleotides

Chemical Reviews, 71, 439 (1971)

This review contains twenty-three journal pages of tables of thermodynamic data (log K, Ml,

t^S, and ACp) pertinent to the interaction of protons and metal ions with the nucleic acids

and their molecular components together with the methods and experimental conditions (pH,

temperature, ionic strength) used in their determination. There are 229 references to articles in the literature.

**********

39. Janz, G. J. Ill, III Thermodynamic Properties of Organic Compounds

Estimation Miethods, Principles, and Practice (revised edition)

(Academic Press, Inc., New York, London, 1967)

This well established monograph discusses computation of thermodynamic properties such as heat capacities, entropies, enthalpies and Gibbs energies by statistical mechanical

methods, by methods of structural similarity, by methods of group contributions, by methods

of group equations, and by methods of generalized vibrational assignments. The chemical

properties: enthalpy of formation, and enthalpy of combustion are treated in terms of bond

energies and group increments. Some 78 tables are given of Increments, group contributions,

and bond contributions as specifically needed for estimation of particular properties.

**********

12
40. Janz, G. J., and Tomklns, R. P. T. Non-Aqueous Electrolytes Handbook (in two volumes)

(Academic Press, New York, 1972)

III, III

These volumes contain extensive tabulations of physical data pertinent to non-aqueous

solvents, both single solvent and mixed solvent systems. The properties that are tabulated

include melting point, boiling point, dielectric constant, viscosity, specific conductance,

density, transference number, solubility, enthalpy of solution and dilution, E° values

for electrochemical cells, vapor pressure, polarographic data, ligand exchange rate, and

spectroscopic data. The vast majority of the approximately 300 solvent systems dealt

with are organic. There is a substance-property index, and sources of data are referenced.

**********

Jazimirski (Yatsimiraskii) , K. B. — see entry no. 98

*********

41. Jordan, T. E. Ill, III Vapor Pressure of Organic Compounds

(Interscience Publishers, Inc., New York, 1954)

This is a comprehensive compilation (266 pages) of vapor pressure data for organic compounds.

Included are tables on the hydrocarbons, alcohols, aldehydes, esters, ketones, acids,

phenols, and metal organic compounds. Data for each compound are shown in graphical form,

i.e. vapor pressure as a function of temperature. References to the data sources in the

literature are given.

**********

42. Joshi, R. M., and Zwolinski, B. J. II, III Vinyl Polymerization, Volume 1, Part I, edited by G. E. Ham

(Marcel Dekker, Inc., New York, 1967)

Chapter 8: Heats of Polymerization and their Structural and Mechanistic Implications

The authors discuss experimental methods used to measure and derive enthalpies of polymerization. A listing of experimental data on enthalpies of polymerization is provided for

81 organic polymerization reactions. Other tables give enthalpies of formation, enthalpies

of vaporization, entropies, Gibbs energies, equilibrium constants, rate constants and

activation energies at 25 °C for a variety of polymerization processes. A discussion

of the structural influence upon the enthalpy of polymerization is also given. At the

end of the chapter, 164 references are cited.

**********

43. Karapet'yants , M. Kh., and Karapet'yants, M. L. II, II Thermodynamic Constants of Inorganic and Organic Compounds

(Ann Arbor Humphrey Science Publishers, Ann Arbor and London, 1970)

translated from the Russian; Osnovnye Termodinamicheskie Konstanty Neorganicheskikh i Organicheskikh Veshchestv (Izdatel ' stvo "Khimiya", Moskva, 1968)

This book is a compilation of Afff°, A(7f°, S°, and Cp values at 298.15 K for about 4000

substances in the condensed and gaseous phases, and in aqueous solution. Covered are not only the inorganic elements and their compounds, but also data for the organic compounds

through 34 carbon atoms. The authors point out that their tabulated values do not always

form a self-consistent system of thermodynamic data. There are 2733 references.

**********

13
44. Kaufmann, D. W. (editor)

Sodium Chloride ' (Reinhold Publishing Corporation, New York, 1960)

This monograph, published under the auspices of the American Chemical Society has in its Appendix a useful compilation of the physical properties of aqueous sodium chloride solutions. Included are essentially all of the measured equilibrium and transport properties of this system at various temperatures and pressures. The data are well referenced

**********

45. Kazavchinskii,

Riukin,

Ya. Z., Kessel'man, P. M., Kirillin, V. A., Ill n S., Sheindlin, A. E., Shpil'raln, E. E., Sychev, V. V., and Timrot, D L

' (edited by V. A. Kirillin)

Heavy Water-Theriiiophysical Properties

(U. S. Department of Commerce, National Technical Information Service, Springfield, VA

19 71) Translated from the Russian Tyazhelaya voda. Teplof izicheskie svoistva (Gosudarstvennoe

energeticheskoe izdatel'stvo, Moskva-Leningrad, 1963)

This treatise is an exhaustive compilation of physical data on heavy water (deuterium oxide)

.

Some of the more relevant properties that are covered include densities, critical constants, vapor pressures, enthalpies of transition, viscosity » and thermal conductivity, equation of state, and tables of thermodynamic properties as functions of temperature and pressure. **********

Keevan, H. J,, Keyes, F. G., Hill, P. G., and Moore, J. G. — see entry no. 99 **********

46. Kortum, G., Vogel, W., and Andrussow, K. II > I Dissociation Constants of Organic Acids in Aqueous Solution

(Butterworths , London, 1961)

This book is a compilation of 1056 dissociation constants of organic acids in aqueous

solution, presented in tabular form. Introductory and explanatory remarks are in both German

and English. Remarks in the Table are in German. Part I is a critical discussion of techniques for measurements of dissociation constants by conductance, electrometric,

catalytic and optical methods. Each method is classified and coded in Part II, on use of the table, where methods of calculation and corrections for solvent and for hydrolysis of salts

in conductivity measurements are also coded, for reference in the table. The Table itself

is arranged by acid class including: aliphatic and allcyclic carboxylic acids, aromatic

carboxylic acids, phenolic acids, and other acids and special classes. The Table gives the name, chemical formula, and thermodynamic dissociation constant K of each acid, the temperature (°C) of measurement, the range of concentration over which the measurements were made,

code for the method of measurement, calculation procedure and any corrections made, a critical evaluation of the quality of the measurement, and the source reference. All data were drawn from the literature, covering the period between 1927 and 1956, and are referenced

in a classified reference list. A compound index is provided.

**********

47. Krebs, H. A., and Romberg, H. L,, with appendix by K. Burton I, II Energy Transformations in Living Matter

(Springer-Verlag, Berlin, 1957)

The main part of this monograph surveys the various biochemical pathways by which living

systems utilize energy. In the Appendix are (1) Tables of Gibbs energies of formation of

ninety-eight compounds of biological importance, (2) Gibbs energies and electrochemical

potentials of important biological oxidation-reduction reactions, and (3) Gibbs energy changes

14
47. (continued)

accompanying the processes of glycolysis and alcoholic fermentation, the tricarboxylic acid

cycle, and hydrolysis. The source of data is given for each entry.

**********

48. Latimer, W. M. II, I The Oxidation States of the Elements and their Potentials in Aqueous Solution

(second edition)

(Prentice-Hall, Inc., Englewood Cliffs, New Jersey, 1959)

This book contains extensive tables of hGf° , Afff", and 5° values for the elements and their

compounds as well as electrode potential diagrams calculated from the tabulated A(7f° values,

from other measurements, and estimates when appropriate. Much of the tabulated data were taken from National Bureau of Standards Circular 500 (see entry no. 73). The appendixes

include activity coefficient data for 77 strong electrolytes and a discussion of methods

whereby entropies may be estimated.

**********

49. Lewis, G. N., and Randall, M. Ill, I (revised by Pitzer, K. S., and Brewer, L.)

Thermodynamics

(McGraw-Hill Book Company, New York, 1961)

This standard textbook on thermodynamics contains an Appendix of selected data for aqueous

electrolyte solutions. Compiled are activity coefficients, relative partial molal

enthalpies, and relative partial molal heat capacities for about 70 of the most common

electrolytes in aqueous solution at 25 °C. **********

50. Linke, W. F. , and Seidell, A. II, I Solubilities: Inorganic and Metal-Organic Compounds—A Compilation of Solubility

Data from the Periodical Literature. Volume I: A-Ir, Volume II: K-Z

(Volume I: D. Van Nostrand Co., Princeton, New Jersey, 1958; Volume II: American

Chemical Society, Washington, DC, 1965)

These two volumes (total of 3401 pages) are comprehensive compilations of mostly unevaluated

solubility data for inorganic and metal-inorganic compounds. Both aqueous and non-aqueous

solvent systems are included. References are given to the data sources. **********

15
51. Long, C. (editor)

Biochemists Handbook

(D. Van Nostrand Co., Princeton, New Jersey, 1961)

I, II

This reference book contains several tables of the rmo chemical data:

S. P. Datta and A. K. Grzybowski pH and Acid-Ease Equilibria

This chapter contains a discussion of pH scales and the electrometric measurement of pH,

tables of assigned pH values for various buffered solutions, and tables (about 600 entries)

of thermodynamic acid dissociation constants of weak organic acids (some as a function of

temperature)

.

K. Burton Free Energy Data and Oxidation-Reduction

Potentials

This chapter contains some revisions and additions to Burton's earlier tables (see, in this

bibliography, the book by Krebs and Komberg)

.

52. Kartell, A. E., and Smith R. M. I, n

Critical Stability Constants. Volume I: Amino Acids

(Plenun Press, New York, 1974)

and

Smith, R. M., and Kartell, A. E. Critical Stability Constants. Volume II: Amines

(Plenum Press, New York, 1975)

Volume I contains selected values of log K, bJl, and AS' at 25 "C for the interaction of

inorganic metal and hydrogen ions with several classes of organic ligands . The organic

ligands dealt with are the aminocarboxylic acids, iminodiacetic acid and its derivatives,

peptides, aniline carboxylic acids , pyridine carboxylic acids, peptides, and several other

miscellaneous ligands. The arrangment of data is similar to that of the work of Sillen,

Kartell, Hogfeldt, and Smith except that the data are critically selected from the literature

rather than being simply compiled. Each selected datum contains a reference to the primary

literature. This 469 page volime contains a ligand formula and name index.

Volume II (415 pages) is similar in arrangement to Volume I. The organic ligands dealt xd.th are the aliphatic, secondary, and tertiary amines, azoles, azines, and the amino phosphorous

acids

.

**********

53. Keites, L. (editor) II, II Handbook of Analytical Chemistry

(KcGraw-Hill Book Co., New York, 1963)

This treatise on analytical chemistry contains several useful tabulations of thermochemlcal

data. Some of these tabulations are taken directly from other sources cited in this

bibliography and are not included below:

Author (s) Title of Section

V. E. Bowers and R. G. Bates Equilibrium Constants of Proton-transfer

Reactions in Water

Tabulated are pz values at 15, 25, and 35 °C for about 200 organic and inorganic acids; no literature references are given.

16

.A
53. (continued)

L. Meites Formal Equilibrium Constants of Proton-transfer

Reactions at Finite Ionic Strength

This section contains a tabulation of pK values at 25 °C for a selected series of about

150 acids, and bases. These data were taken from Bjerrum, Schwarzenbach , and Sillen,

"Stability Constants of Metal Complexes", part I, Chemical Society, London, 1957. Also

given are tables of acid dissociation data pertinent to ethanol-water and methanol-water

mixtures

D. A. Aikens and C. N. Reilley Formation Constants of Metal Complexes

Tabulated are log K values for the binding of the more common inorganic metal ions to 55 ligands . hH and A5 values are also given for four ligands . Literature references are given

1 54. Merrill, A. L., and Watt, B. K. I, III Energy Value of Foods; Basis and Derivation

Agriculture Handbook No. 74, 1955

Watt, B. K., and Merill, A. L. Composition of Foods; Raw, Processed, Prepared

Agriculture Handbook No. 8, revised, 1963

(U. S. Government Printing Office, Washington, DC 20402)

This pair of monographs provides numerous composition and energy values for food and

foodstuff ingredients. It should be noted, of course, that the Calorie used in food

energy values is one kilocalorie (4 kJ) as used in thermochemistry. In Agriculture

Handbook No. 74, Part I gives a discussion of the sources of food energy in terms of

organic compound class, and of the experimental determination of enthalpies of combustion.

Parts II, III, and IV apply the data to physiological processes. An appendix gives

composition and enthalpy of combustion of foods. Tables 1-5 and table 24 give enthalpies

of combustion of specific food items or component substances. Care should be used in

taking values from the numberous tables, as correction factors have sometimes been applied

to adjust for physiological processes. These adjustments are indicated by footnotes. In Agriculture Handbook No. 8, Appendix A is of particular interest as it gives notes on energy

values and nutrients, including (adjusted) enthalpies of combustion of many foods and food

ingredients

**********

55. Miller, D. G. Ill, I Application of Irreversible Thermodynamics to Electrolyte Solutions. I. Determination of

Ionic Transport Coefficients for Isothermal Vector Transport Processes in Binary

Electrolyte Systems. II. Ionic Coefficients for Isothermal Vector Transport

Processes in Ternary Systems.

Journal of Physical Chemistry, 70, 2639 (1966); 71, 616 (1967)

These papers derive equations relating fundamental isothermal transport coefficients (£j^j's) to experimentally measurable quantities for electrolytes in a neutral solvent, ^ij's

for the most common aqueous ionic solutions are calculated from critically reviewed data.

**********

17
56. Millero, F. J, III, i The Partial Molal Volumes of Electrolytes in Aqueous Solutions. Compilation

of the Partial Molal Volumes of Electrolytes at Infinite Dilution, 1?° and the Apparent

Molal Volume Concentration Dependence Constants, S* and b-^, at Various Temperatures

Water and Aqueous Solutions, R. A. Home (editor)

(Wiley-Interscience , New York, 1972)

This chapter is concerned with the measurement and interpretation of partial

molal volumes and their concentration and temperature dependences. Included are tables of

the partial molal volumes of the common inorganic and organic electrolytes (about 200

systems) as well as values of the partial molal volumes of the more common inorganic and

organic ions (about 100 species). The data refer to temperatures from 0 to 200 °C.

57. Millero, F. J. • III, I The Molal Volumes of Electrolytes

Chemical Reviews, 71, 147 (1971)

This is a detailed and thorough review article dealing with molal volumes of electrolytes

in water. Included is a history and discussion of theoretical developments associated with

molal volumes. Tabulated are the partial molal volumes of the common (about 50) inorganic

and organic ions in water at temperatures ranging from zero to 200 °C. There is also

given partial molal volume data for non-aqueous systems. There are 366 references to the

literature. Also see entry no. 56 above.

58. Mlshchenko, K. P., and Poltoratzkii, CM. II, I Aspects of the Thermodynamics and Structure of Aqueous and Non-Aqueous Electrolyte

Solutions

(Izd. "Khimia", Leningrad, 1968) (In Russian)

This 350 page monograph contains extensive discussions and correlations (theoretical and

empirical) of existing experimental data on enthalpies, Gibbs energies, and entropies, of

solution and ionization of inorganic acids, bases, and salts in water and selected organic

solvents. Heat capacities, enthalpies, Gibbs energies, and entropies of the substances and

their ions in solution are also discussed. Extensive use is made of diagrams relating

observed properties to periodic groupings of the elements. The monograph contains numerous

small tables of properties of limited groups of substances. A summary compilation of

selected values of thermodynamic properties occupies 43 pages, giving tJi^" , hGf° , S and Cp

of pure and dissolved inorganic substances in their standard state at 25 °C, selected

enthalpies of solution at 25 °C, enthalpies of dilution of common acids, bases, and salts at 25 "C, and heat contents and partial molar heat capacities for selected salts vs. concentration and temperature in water, methanol, ethanol, and a few other organic solvents.

**********

Naoomov, G. B., Rhizenko, B. N., and Kodakovski, I. L. — see entry no. 100

**********

18
59. Parker, V. B. Thermal Properties of Aqueous Unl-univalent Electrolytes

(NSRDS NBS 2, U. S. Government Printing Office, 1965)

III, I

This short (41 pp.) monograph is a review of the heat-capacity, enthalpy-of-solution, and

enthalpy-of-dilution data on simple 1-1 electrolytes, organic and inorganic, in dilute

aqueous solutions. From the critical analysis of this data, tables of selected "best"

values of apparent heat capacities, and enthalpies of dilution are given, as well as selected values of the enthalpies of solution to the infinitely dilute solution. Also

included is a review of data on the enthalpies of neutralization of monobasic acids which

has led to a selected "best" value for the enthalpy of ionization of water. Data on each

property are introduced with a discussion of methods employed in reducing the data to a standard form and are listed by compound, in the order: acids, ammonium and amine salts,

silver salts, and salts of the alkali metals. For each compound are listed the various

investigations, with the temperature and range of concentrations measured. Graphs of molal

heat capacity and molal enthalpy as functions of concentration are also included, for

aqueous solutions of many of the compounds discussed. In addition, there is an abbreviated

listing, by compound, of review and compilation papers on the thermal properties of the

aqueous uni-univalent electrolytes. These and other references are also listed alphabetically

in a separate reference section with 652 entries. The chosen "best" values for each

parameter and compound are arranged in a series of 21 tables for t = 25 °C. **********

60. Parker, V. B., Wagman, D. D., and Garvin, D. Ill, II Selected Thermochemical Data Compatible with the CODATA Recommendations

(National Bureau of Standards Report No. 75-968, Washington, DC, 1976)

Selected thermochemical properties, AGf°, Afff°, 5°, Cp° (all at 298.15 K) , Ai7f° (0 K) , and

U (298 K) - H (OK), are given for 384 substances (almost entirely inorganic) including

many of the more commonly encountered aqueous species. The selected values are intended to be compatible with, the current CODATA recommendations on key values for thermodynamics,

(see CODATA Recommended Key Values for Thermodynamics)

**********

61. Parsons, R. Ill, I Handbook of Electrochemical Constants

(Academic Press, New York, 1959)

This handbook contains extensive tables of data for the more common inorganic and organic

aqueous electrolyte solutions. Properties covered include dielectric constants, activity

coefficients, relative partial molal enthalpies, equilibrium constants, solubility products,

conductivities, electrochemical potentials, Gibbs energies and enthalpies of formation,

entropies, heat capacities, viscosities, and diffusion coefficients. Unfortunately, only

a few of the tables contain references to the sources of the data.

**********

62. Pauling, L. Ill, m

The Nature of the Chemical Bond (third edition)

(Cornell University Press, Ithaca, New York, 1960)

This well established monograph provides general information about the nature of chemical

bonding in (principally) inorganic compounds which is fundamentally very important for the

estimation of enthalpies of formation, but not always easily applied.

**********

19
63. Pedley, J. B. (editor) III, li

Computer Analysis of Thermo chemical Data (CATCH Tables)

(University of Sussex, Brighton, England, 1972 to present)

These thermochemical tables consist of enthalpies of formation at 298.15 K calculated from

thermo chemical data networks. Included are appropriate references to the literature and

estimated errors in the enthalpies of formation. An interesting and important feature of

this scheme is that the tables can be readily updated by computer. These tables contain a substantial amount of data for aqueous species. To date, the following tables have appeared:

Element Author (s) Year

Halogen Compounds (Fluorine, J. D. Cox 1972

Chlorine , B romine , lodine

)

Nitrogen G. Pilcher 1972

Phosphorous A. J. Head 1972

Silicon J. B. Pedley 1972

and

B. S. Iseard

ChromiiBn, Molybdenum and D. S. Barnes 1974

Tungsten

**********

64. Perrin, D. D. II, II Dissociation Constants of Inorganic Acids and Bases in Aqueous Solution

(Butterworths , London, 1969)

This short (163 pp.) monograph is a compilation of dissociation constants of 217 inorganic

acids and bases. The classes of compounds include not only conventional acids and bases,

but also hydrated metal ions and free radicals, such as hydroxyl, the only criterion being

gain or loss of a proton or hydroxyl ion. The data are organized into a single table

listing 217 compounds, preceded by a brief introduction to the use of the table, and

a section on methods of measurement and calculation. The methods are classified as conductometric, electrometric, optical, or other. Elements and compounds are listed in

decreasing extent of protonation. values are, wherever possible, obtained by extrapolation to ionic strength J = 0. The table also gives the temperature of each measurement,

remarks as to ionic strength, concentration, and any other factors relating to pK, coded

references to method of measurement, the procedure used in evaluating the constants and any

corrections taken into consideration, and the literature references. There are approximately

1100 references listed alphabetically by author.

**********

65. Perrin, D. D. II, II Dissociation Constants of Organic Bases in Aqueous Solution

(Butterworths, London, 1965)

Published in the same series as the book by Kortum, Vogel, and Andrussow, this book tabulates

values of dissociation constants for organic bases in aqueous solution. The bases are arranged under the headings aliphatic, alicyclic, aromatic, heterocyclic, natural products,

dyes and indicators, substances lacking a basic nitrogen atom, and miscellaneous. Accompanying

the data entry for each base is the temperature, method of measurement, formula, assessment

of the measurement, and the appropriate reference. There are 3790 data entries in this book.

**********

20
66. Phillips, R. I, II Adenosine and the Adenine Nucleotides. Ionization, Metal Complex Formation, and

Conformation in Solution

Chemical Reviews, 66, 501 (1966)

This article is a detailed review of the thermodynamics, kinetics, and structural

characteristics of adenosine and the adenine nucleotides in solution. Both log K and

enthalpy data are tabulated for protonation and metal-ion binding reactions to adenosine

and the adenine nucleotides. Included for the tabulated data are the ionic strength,

temperature, supporting electrolyte, pH, method of measurement, and references to the

original data source. **********

67. Phillips, R. C, George, P., and Rutman, R. J. I, II Thermodynamic Data for the Hydrolysis of Adenosine Triphosphate as a Function of pH,

Mg^"*" Ion Concentration, and Ionic Strength

Journal of Biological Chemistry, 244 , 3330 (1969)

This article deals with the computation of the Gibbs energy change for the hydrolysis of

adenosine-5 '-triphosphate to adenosine-5 '-diphosphate as a function of magnesium ion

concentration, pH, and ionic strength. A critical evaluation of the existing data pertinent

to this computation is included. References to 24 papers are given.

**********

68. Pourbaix, M. (and others) III, I Atlas of Electrochemical Equilibrium in Aqueous Solution

(Pergammon Press, Oxford, 1966)

This book contains tabulations of Gibbs energy of formation data for many of the principal

compounds of the inorganic elements. Electrochemical potentials and their dependence on

pH, are calculated for many important couples. Much of the Gibbs energy data is taken

from the evaluations and compilations of others.

**********

69. Reid, R. C, and Sherwood, T. K. Ill, II The Properties of Gases and Liquids, Their Estimation and Correlation (second edition)

(McGraw-Hill Book Co., New York, 1966)

This lengthy monograph discusses various methods available for

calculating or estimating properties of materials, and then provides

recommendations for action with respect to each kind of property. Included in the book are procedures for making estimates of critical constants, normal boiling temperatures,

Lennard-Jones potential parameters, compressibility factors and equations of state, liquid

molal volumes and densities, and vapor pressures. Estimates of enthalpies of vaporization,

of ideal-gas heat capacities, and of enthalpies and Gibbs energies of formation are treated.

For real fluids variations of enthalpy, entropy, internal energy, and heat capacity with

pressure are treated. Some methods are given for estimating the properties of fluid mixtures.

Surface tension and the transport properties—viscosity, diffusion coefficient and thermal

conductivity—are discussed. Numerous tables present comparisons of observed and calculated

properties

**********

21
70. Robinson, R. A., and Stokes, R. H. II, I Electrolyte Solutions. The Measurement and Interpretation of Conductance, Chemical

Potential and Diffusion in Solution of Simple Electrolytes (second edition, revised)

(Butterworths , London, 1965)

In this, the revised second edition of a monograph first published in 1955, the first part

presents a fundamental discussion of aqueous organic and inorganic electrolyte solutions.

Included is a discussion of ionizing solvents (i.e. water), electrolytic conductivities and

transport numbers, the measurement and interpretation of chemical potentials; the theory of

diffusion (emphasizing conductance and viscosity in concentrated solutions) , and methods of

measurement of diffusion coefficients. The final third of the text deals primarily with

characteristics of specific electrolyte solutions, including weak and mixed electrolytes,

and strong acids, and includes an extensive (98 pp.) appendix m.th. approximately 75 tables

of osmotic and activity coefficients, standard cell potentials (E°) in various organic

solvents, ionic radii, and ionization constants of organic acids in aqueous solution, and

other information. The narrative is supplemented with graphs, tables, equations, and

references

.

**********

71. Rossini, F. D., Pitzer, K. S., Arnett, R. L., Brown, R. M., and II, III Pimentel, G. C. Selected Values of Physical and Thermodynamic Properties of Hydrocarbons and Related

Compounds

(Carnegie Press, Pittsburgh, Pennsylvania, 195 3)

This monograph resulted from the work of American Petroleiam Institute (API) Research

Project 44. Values are given for 40-odd physical and thermodynamic properties of several

hundred hydrocarbons in metric and U. S. Customary units. The data in most instances

represent selected values from careful studies, many of which were done in connection with

the same API Research Project. Experimental data are supplemented by theoretical

calculations or empirical correlations. References to the source data and a bibliography

are given. This is a revision of NBS Circular C461 (entry no. 72 below).

**********

72. Rossini, F. D., Pitzer, K. S., Taylor, W. J., Ebert, J, P. II, III Kilpatrick, J. E., Beckett, C. W., Williams, M. D., and Werner, H. C. Selected Values of Properties of Hydrocarbons

National Bureau of Stnadards Circular C461 (1947)

(U. S. Government Printing Office, Washington, DC)

This monograph was prepared as part of the work of the American Petroleum Institute (API)

Research Project 44. Values are given for 36 physical and thermodynamic properties of

several hundred hydrocarbons in metric and in U. S. Customary units. The data in most

instances represent values found from careful studies, many of which were done in connection

with the same API Research Project. Experimental data are supplemented by theoretical

calculations or empirical correlations. References to the source data and a bibliography

are given. Entry no. 71 above is a revision of this work.

**********

22
73. Rossini, F. D., Wagman, D. D., Evans, W. H., Levine, S., and II, II Jaffe, I. Selected Values of Chemical Thermodynamic Properties

i National Bureau of Standards Circular 500 (1952)

(U. S. Government Printing Office, Washington, DC 20402)

This was for many years the most comprehensive authoritative compilation of thermochemical

data at 298.15 K for inorganic substances. All inorganic substances and organic substances

containing two carbon atoms or fewer per molecule are included if thermodynamic data exist

for calculating one of the properties tabulated. Properties tabulated in Part I are

Afff°Q, Ai?f °298» ^'^f °298> ^°298' ^^°298' Properties tabulated in Part II are temperature, pressure, enthalpy change, entropy change and heat capacity change for

j transition, fusion, and vaporization processes. The data from original sources

I were critically evaluated by competent thermochemists and

I functions tabulated, maintaining internal consistency by the relationship: '

I AGf°298 = ^f°298 ~ '^^^°298- sources of data for each data item are listed and a bibliography is included. Some information in this book can still not be found readily

elsewhere as the revision is not yet complete. Also, see Wagman, et al . in this

bibliography

**********

I 74. Schafer, D., and Lax, E. (editors) II, III

j Landolt-Bornstein

Zahlenwerte und Fuctionen aus Physik, Chemie, Astronomie, Geophysik, und Technik,

Sechste Auflage

Eigenschaften der Materie in Ihren Aggregatzustanden

4 Teil, Kalorische Zustandsgrossen

I

(Springer-Verlag, Berlin, 1961) (in German)

I This most recent issue of thermodynamic information of the Landolt-Bornstein series gives

thermal properties: molar heat capacity, entropy, enthalpy, enthalpy of formation, Gibbs

energy of formation, in the standard state, and enthalpies of phase changes for many organic

and inorganic substances in SI units. The dependence of thermal functions and heat capacity

upon temperature is given for many substances. Some other thermodynamic quantities are given.

Extensive tables are given of group contributions to enthalpies of formation and the Gibbs

energies of formation of organic substances (gases) in kcal mol~l and kJ mol~l . Many of

the heat capacity data are presented in diagrams. This series also includes tables of freezing

point depressions, conductivities, transference numbers, and densities for aqueous systems.

**********

75. Sillen, L. G., Kartell, A. E., Hogfeldt, E., and Smith, R. M. II, I Stability Constants of Metal Ion Complexes, Section I: Inorganic Ligands,

Section II: Organic Ligands (second edition)

(Special Publication No. 17, The Chemical Society, London, England, 1964 and

Supplement No. 1, Special Publication No. 25, 1971)

With the publication of this second edition of Stability Constants, the Chemical Society

combined two previously separate volumes into one, two-part volume (745 pp.), the first

covering constants of inorganic ligands, the second, organic ligands. Both sections include

all data published up to the end of 1960 and some from 1961-63; the scope of the inorganic

section has been extended to cover redox equilibria and the extraction of inorganic

ligands into non-aqueous solvents. The data are organized into separate tables, each table

summarizing the data for the association of one particular ligand with all the metallic ions

which have been studied in conjunction with it. Method of measurement, composition, and

temperature of the media to which the data refer, are given for each ligand-metal pair.

Acid dissociation constants of the ligands are recorded by including the hydrogen ion as one

of the cations with which the ligands associate. Redox equilibria are represented by

including the electron as a ligand, and hydrolysis of metallic ions is described by

23
75 . (continued)

regarding the hydroxyl ion as one of the ligands.

The arrangement of material is now more uniform than in the two parts of the first

edition, but there remain minor differences of presentation between the inorganic and the

organic section. In the inorganic table, 80 ligands are ordered according to group in the

periodic system; metal ions are arranged within each inorganic ligand table, in the same order. In the organic section, the ligands (1028) are in order of their empirical formulae,

and the metallic ions in the alphabetical order of their international symbols. Methods of

measurement are given, with 42 separate methods alphabetized and coded in the introduction;

medium is usually aqueous. Equilibrium constants are given in both tables. The organic

section includes consecutive or stepwise constants, K, whenever possible, and cumulative or gross constants, 3, if they are the only quantities determined, or if the sequence of

stepwise constants is incomplete. The inorganic table includes equilibrium constants for

consecutive and cumulative reactions, solubility constants, acid constants and base constants.

Certain special constants are also given; e.g. Kp - equilibria involving a gas. Both

tables give enthalpy and entropy changes, and symbols relating to the references which are listed at the end of each table. Each of the inetals, inorganic ligands and organic ligands

are indexed alphabetically, with appropriate table number, at the end of the book.

The supplement to the second edition of "Stability Constants of Metal-Ion Complexes" Is a review of pertinent literature published between the completion of the 1964 Tables and the

end of 1968, including also some data published before the completion of the 1964 Tables,

but omitted from them. In the organic part, a change of policy has been initiated; rather

than being omitted, results seeming incomplete or of dubious validity are now included in

the tables, with critical comments. The section "How to Use the Tables" has been brought

up to date; a few methods have been added. Limits of error are now sometimes given. A new

feature in the organic section is a Functional Group Index, covering also the 1964 Tables,

and a table of 34 macromolecular organic ligands, including albumin, DNA, RNA, and insulin.

**********

76. Silvester, L, F., and Pitzer, K. S. Ill, i Thermodynamics of Geothermal Brines. I. Thermodynamic Properties of Vapor Saturated

NaCl (aq) Solutions from 0 to 300 °C (National Technical Information Service, Report No. LBL-4456, U. S. Department of Commerce,

Springfield, VA)

Osmotic and activity coefficient data, enthalpy data, and heat capacity data on aqueous

sodium chloride solutions covering the temperature range 0 to 300 °C were used to obtain

the coefficients of an equation that could be used to predict these thermodynamic

properties over the Indicated temperature range. Tabulated are values of the total Gibbs

energy, enthalpy, and heat capacity, partial molal and excess thermodynamic properties for

sodium chloride in water from 0 to 300 °C and from 0 to 6 molal.

**********

77. Skinner, H. A. (editor) III, II MTP International Review of Science - Volume 10. Thermochemistry and Thermodynamics

(Butterworths, London, 1972)

Although this book contains few tables of thermodynamic data, it does contain several chapters

of interest. These chapters are: Author(s) Chapter

I. Wadso Biochemical Thermochemistry

R. F. Jameson Thermodynamics of Metal-Complex Formation

24
77. (continued)

Author (s) Chapter

G. Pilcher Thermochemistry of Chemical Compounds

K. P. Mishchenko Thermodynamics of Electrolyte Solutions

B. J. Zwollnski and J. Chao Critically Evaluated Tables of Thermodynamic Data

The latter article provides a very useful guide to much of the evaluated thermodynamic

data that is not covered in this bibliography.

**********

Smith, R. M., and Martel, R. E. — see entry no. 52

**********

78. Sober, H. A. (editor) I, II Handbook of Biochemistry - Selected Data for Molecular Biology

(The Chemical Rubber Co., Cleveland, 1968) (see also second edition, 1970)

This compendium contains the following twenty-three tables of thermochemical data. The same tables, some containing additional information are in the second edition (indicated in

parentheses)

Author or Source Table

From "The Chemistry of the Amino Acids Coefficients of Solubility Equations of Certain

and Proteins", C.L.A. Schmidt (editor), Amino Acids in Water

Charles C. Thomas Co., Springfield, IL

Solubility data for 34 amino acids are fitted to equations giving the solubility as a function of temperature

J. 0. Hutchens Heat Capacities, Absolute Entropies, and

Entropies of Formation of Amino Acids and

Related Compounds

Cp", and ASj" at 25 "C are tabulated for 28 amino acids, 3 peptides, 4 proteins, and 3 related substances

J. 0. Hutchens and E. P. Kirby Hade, Jr. Solubilities of Amino Acids in Water at Various

Temperatures

The solubilities of 18 amino acids are tabulated at four different temperatures from 1 to 40 "C.

J. 0. Hutchens Heats of Combustion, Enthalpy and Free Energy

of Formation of Amino Acids and Related Compounds

Enthalpies of combustion and formation and Gibbs energies of formation at 25 °C are tabulated for 45 amino acids and related compounds.

J. 0. Hutchens Heats of Solution of Amino Acids in Aqueous

Solution at 25 °C

The heats of solution for 37 amino acids at 25 °C are tabulated.

25
78, (continued)

Author or Source Table

J. 0. Hutchens Free Energies of Solution and Standard Free Energies of Formation of Amino Acids in

Aqueous Solution at 25 °C

Gibbs energies of solution and formation at 25 °C are given for 18 amino acids.

J. 0. Hutchens Activities of Amino Acids and Peptides at 25 °C

Molal activity coefficients at 25 °C are tabulated as a function of molality for 14 amino

acids

.

From K. S. Markley, "Fatty Acids. Solubility of Fatty Acids in Water

Part I", second edition,

Interscience, New York (1960)

The solubilities of 13 fatty acids in water at five temperatures from 0 to 60 °C are tabulated.

From K. S. Markley, "Fatty Acids. Approximate Solubilities of Water in Saturated

Part I", second edition. Fatty Acids at Various Temperatures

Interscience, New York (1960)

The approximate solubilities of water in thirteen saturated fatty acids at various

temperatures is given.

From K. S. Markley, "Fatty Acids. Solubilities of Simple Saturated Triglycerides

Part I", second edition,

Interscience, New York (1960)

Tabulated are solubilities of five saturated triglycerides in various non-aqueous solvents

and at a variety of temperatures.

From K. S. Markley, "Fatty Acids. Solubilities of Mixed Triacid Triglycerides

Part I", second edition at 25 °C Interscience, New York (1960)

Tabulated are solubilities of four mixed triacid triglycerides in four non-aqueous solvents,

P. A. Loach Oxidation-Reduction Potentials, Absorbance Bands

in Biochemical Studies

Oxidation-reduction potentials at ambient temperatures for an assortment of 253 couples

frequently encountered in biochemical studies are tabulated with appropriate references.

R. W. Henderson and T. C. Morton Oxidation-Reduction Potentials of Hemoproteins

and Metalloporphyrins

Tabulated are oxidation-reduction potentials for 241 (282) hemoproteins and metalloporphyrins

at assorted temperatures

.

26
78. (continued)

Author or Source Table

R. M. Izatt and J. J. Christensen Heats of Proton Ionization and Related

Thermodynamic Quantities

This section is an extensive tabulation of enthalpy and entropy changes and pK values for

organic and biochemical systems with 323 (418) references to the literature.

G. C. Krescheck Calorimeteric M Values Accompanying Conformational Changes of Macromolecules in Solution

Tabulated are Ml values accompanying the conformation changes of 25 macromolecular systems.

W. P. Jencks Free Energies of Hydrolysis and Decarboxylation

A discussion is given of standard states appropriate to biochemical thermodynamics.

Tabialated are Gibbs energies of hydrolysis of esters of acetic acid and related compounds,

of thiol esters, amides, phosphates, and of glycolysis (and of decarboxylation).

W. P. Jencks and J. Regenstein Ionization Constants of Acids and Bases

Given is an extensive tabulation of pK values for ionization of several hundred acids and

bases with 116 (117) references to the literature.

R. G. Bates Measurement of pH

R. G. Bates Buffer Solutions

pH values have been assigned to several important buffer systems.

Good, Winget, Winter, Connolly,

Izawa, and Singh, Biochemistry,

5, 472 (1966)

Properties of Some New Buffers for Biological

Research

Tabulated are pK values with temperature coefficients and metal-buffer binding constants

for several buffers useful for biological research.

**********

79. Stephen, H., and Stephen, T. II, i Solubilities of Inorganic and Organic Compounds (in five volumes)

(Per gammon Press, Oxford, 1963)

This series of five volumes (about 5500 pages) is a selection from the literature of data

on the solubilities of elements, inorganic compounds, and organic compounds in binary,

ternary, and multi-component systems. References are given to sources of data in the

literature. The data are unevaluated.

**********

Stull, D. R. — see entry no. 101. **********

27
80. Stull, D. R., Westrum, E. F., and Sinke, G. C. The Chemical Thermodynamics of Organic Compounds

(John Wiley and Sons, Inc., New York, 1969)

II, III

This monograph is divided into three parts. The first part gives theoretical basis and

principles of thermodynamics and thermochemistry, some experimental and computational methods

used, and some applications to industrial problems. The second part gives thermal and

thermochemical properties in the ideal gas state from 298 to 1000 K. In this section, the sources of data are listed and discussed and standardized tables are presented for 918 organic

compounds. Values of Cp°, S° , -(G - ^29^) IT, H° , E°29Q, Afff", AGf°, and log Zp are given

at 100 K intervals. In the third section are listed selected values of enthalpy of

formation, entropy, and consistent values of AGf°andlog Zp of organic compounds at 298 K. In excess of 4000 compounds are listed. A very few inorganic compounds are also found in

this book. A chapter very briefly discusses methods of estimating thermodynamic quantities.

**********

81. Tatevskii, V. M., Benderskii, V. A., and Yarovoi, S. S. Ill, III Rules and Methods for Calculating the Physico -Chemical Properties of Paraffinic

Hydrocarbons

(Pergamon Press, New York, Oxford, London, Paris, 1961)

Translated from the Russian Zakonomernosti i metody rascheta f iziko-khimicheskikh

svoistv parafinovykh uglevodorodov (Gostoptekhizdat, Moscow, 1960)

This monograph is a summary and a consolidation of the results of some years of work by

Tatevskii and others, extending and elaborating some procedures introduced by Rossini and

others. It suffers from ambiguity of statement which is somewhat distracting, but the

methods presented in it have been attracting increasing attention recently. Properties

calculated include: molar volume, molar refraction, vapor pressure, enthalpy of formation

from atoms or elements, Gibbs energy of formation, and enthalpy of combustion. Three

different methods are used. Tables of constants and illustrations of the accuracy of the

methods are given.

**********

82. Timmermans, J. II, III Physico-chemical Constants of Pure Organic Compounds (in two volumes)

(Elsevier Publishing Co., Amsterdam, 1950 and 1965)

These two volumes contain tables of physical data for pure organic compounds. The arrangement of the data is by compound. Properties tabulated include vapor pressure,

boiling point, triple point, viscosity, specific heat, critical constants,

density, compressibility, refractive index, enthalpy of vaporization, 'and dielectric

constant

.

**********

83. Timmermans, J. II, II The Physico-chemical Constants of Binary Systems in Concentrated Solutions

(in four volumes)

(Interscience Publishers, New York, 1959)

These volumes contain extensive tabulations of physical data relevant to concentrated solutions

of binary systems, both organic and Inorganic. The properties that are tabulated include

dielectric constant, viscosity, equivalent conductivity, surface tension, diffusion and

thermal diffusion coefficients, vapor pressure, specific heat, electrochemical data,

enthalpy of combustion, enthalpy of dilution and solution, transition enthalpies, and other

28
83. (continued)

properties. This reference contains extensive tabulations of data pertinent to water and

electrolyte solutions. The data are well organized and there is a general compound index

as well as references to the original data sources. The literature coverage is through the

year 1957. , , , ^ . . . .

Travers, J. G., Dellieu, I., and Hepler, L. G. — see entry no. 102

**********

84. Wagman, D. D., Evans, W. H., Parker, V. B., and (in various individual II, II parts) Halow, I., Bailey, S. M., Schumm, R. H., Churney, K. L. Selected Values of Chemical Thermodynamic Properties

National Bureau of Standards Technical Note 270, October 1965 (and continuing)

(U. S. Government Printing Office, Washington, DC 20402)

This technical note is a revision of NBS Circular 500 Part I (see above) and is issued in

parts as segments of the work relating to selected sequences of elements are completed.

The following parts had been issued as of 19 74. 270-1 Tables for the first twenty-three elements in the standard order of

arrangement

270-2 Tables for elements 24-32 in the standard order of arrangement.

270-3 Tables for the first thirty-four elements in the standard order of

arrangement. This table includes thermochemlcal data for compounds

containing one or two carbon atoms. This technical note supersedes technical

notes 270-1 and 270-2.

270-4 Tables for elements 35-5 3 in the standard order of arrangement,

270-5 Tables for elements 54-61 in the standard order of arrangement.

270-6 Tables for the alkaline earth elements, elements 92-97 in the standard

order of arrangement.

270-7 Tables for the Lanthanide (Rare Earth) elements, elements 62-76 in the

standard order of arrangement.

The remaining elements are to be covered in two or three additional parts to appear over

a period of about two years. Documentation and references have not yet been issued.

This is the most comprehensive recent compilation in English of critically evaluated

thermochemlcal data at 298.15 K for inorganic substances. All Inorganic substances and

organic substances containing two carbon atoms or fewer per molecule are included if

thermodynamic data exist for calculating any of the properties tabulated. The coverage

when complete will be approximately 12,000 substances. Properties tabulated are Mi^°Q,

^f"'298' ^'^f°298' ^°298.15 ~ ^°0» '^°298' '^P°298 15 * data from original sources have

been critically evaluated by competent thermochemlsts and "best" values selected for the

functions tabulated, maintaining Internal consistency by the relationships A'j^f°298 ~ AHf°298 - 2'A5f°298. and AFf°298 " ^^f°Q = S(^°298 " ^°o) • **********

29
85. Washburn, E. W. (editor-in-chief) III, I International Critical Tables of Numerical Data, Physics, Chemistry, and Technology

(McGraw-Hill Book Company, Inc., New York, 1930)

This large (seven volume) but largely superseded coii5)endium of information contains still

valid tables of thermodynamic data as well as useful references to the older literature.

The tables are arranged according to property with groups of tables being arranged

according to discipline. One volume of this series is an index of the materials whose

properties are dealt with.

**********

86. Westrum, E. F. (editor) III, I Bulletin of Thermodynamics and Thermochemistry

(University of Michigan, Ann Arbor, Michigan)

The 18th annual issue appeared in 1975 . The Bulletin is a current awareness bibliography

of articles that pertain to thermodynamics and thermochemistry. The Bulletin is presently

divided into sections on inorganic systems, organic systems, organic systems (mixtures),

and, since 1971, biological and macromolecular systems. Also included are sections on work

in progress at various laboratories, substance-property indexes, and bibliographies on books of interest to thermodynamicists . No data values are given. Prior to the issuance

of the Bulletin, the yearly volumes of the Annual Reviews of Physical Chemistry, published

since 1950 by Annual Reviews, Inc., Palo Alto, California, usually contained bibliographic

information dealing with general thermochemistry and the thermodynamics of electrolyte

solutions. These articles were the forerunners of the Bulletin of Thermodynamics and

Thermochemistry.

**********

87. Wilhelm, E., and Battino, R. Ill, I Thermodynamic Functions of the Solubilities of Gases in Liquids at 25 °C Chemical Reviews, 73, 1 (1973)

This review article contains selected values for the solubility, entropy, and enthalpy

changes on solution for 16 gases in 39 non-aqueous solvents. Also given are the coefficients

of polynomial expressions for the Gibbs energy of solution for a gas in a given solvent as

a function of temperature.

**********

88. Wilhoit, R. C, and Zwolinski, B. J. II, III Handbook on Vapor Pressures and Heats of Vaporization of Hydrocarbons and Related

Compounds (API 44 - TRC)

(Thermodynamics Research Center, Texas A and M Research Foundation, College Station,

Texas, 1971)

This handbook gives subject data on 680 hydrocarbons, 95 sulfur compounds, and water from

0 to 150 °C. It is indexed by compound name, and by boiling point.

**********

30
89. Wilhoit, R. C, and Zwolinski, B. J. Ill, III Physical and Thermodynamic Properties of Aliphatic Alcohols

Journal of Physical and Chemical Reference Data, 2^ (Supplement No. 1), 1 (1973)

This review contains critically evaluated values of the vapor pressure, heat capacity,

enthalpies of transition, entropies, thermodynamic functions for the real and ideal gases,

densities, refractive indexes, and critical properties for 722 alcohols in the carbon range

Ci to C50. This comprehensive revi'few is 420 pages long and lists 2036 references.

**********

90. Wu, Y. C, and Hamer, W. J. Ill, I Electrochemical Data. Part XIV. Osmotic Coefficients and Mean Activity Coefficients

of a Series of Uni-Bivalent and Bi-Univalent Electrolytes in Aqueous Solutions at

25 "C. Part XVI. Osmotic Coefficients and Mean Activity Coefficients of a Number of

Uni-Trivalent and Tri-Univalent Electrolytes in Aqueous Solution at 25 °C (National Bureau of Standards Reports No. 10052 and 10088, U. S. Department of Commerce,

1969)

These reports give values for the osmotic and mean activity coefficients of uni-bivalent,

vi-univalent, uni-trivalent, and tri-univalent electrolytes in aqueous solution at 25 "C. In each case, the values tabulated are those calculated by fitting the literature data to the equation for the excess Gibbs energy, and represents a good fit to the experimental

data. Literature references are included.

**********

91. Yatsimirskii, K. B., and Vasil'ev, V. P. Instability Constants of Complex Compounds

(Consultants Bureau, New York, 1966) and

(Pergammon Press, New York, 1960)

II, II

This volume contains an extensive tabulation of equilibrium data (K and -log K) and

enthalpies of formation for processes involving the more common ions and ligands in

aqueous solution. Specified are the temperature, ionic strength, and method of measurement

with reference (s) to the appropriate literature. The tables contain instability constants

for 138 predominantly inorganic complexes.

**********

92. Zordan, T. A., and Hepler, L. G. Ill, II Thermochemistry and Oxidation Potentials of Manganese and Its Compounds

Chemical Reviews, 6^, 737 (1968)

This review contains selected values of AGf", Aff£°, S° , and electrochemical potentials for

manganese and about 45 of its inorganic compounds and aqueous species at 25 °C. Included

are the more important aqueous species and references to the primary literature.

**********

31
9 3. Baes, C. F. , Jr., and Mesmer, R. E,

The Hydrolysis of Cations

(John Wiley & Sons, New York, 19 76)

III, I

This book on the chemistry of hydrolysis of inorganic cations contains a substantial amount

of equilibrium data pertinent to hydrolysis reactions. For each of the elements which produces

a cation or cations in aqueous solution , the available equilibrium data for the hydrolysis

reaction(s) at or about 298 K has been critically assessed in order to obtain "best" values

for equilibrium constants and quotients applicable to a given medium. When available,

and A5 data for the hydrolysis reactions are also presented. The data, with references and

comments, is arranged under the element of interest.

94. Bates, R. G. II, II Determination of pH, Theory and Practice (Second Edition)

(John Wiley & Sons, New York, 1973)

This book, the primary topic of which is the establishment of an operational pH scale,

contains several tables of interest. Tabulated are the ion product of water from 0 to 60 °C,

the vapor pressure, density, and dielectric constant of water from 0 to 100 °C, dielectric

constants of pure liquids, and pH values of several aqueous buffer systems.

AAA*******

95. Boublik, T., Fried, V., and Hala, E. II, III

The Vapour Pressures of Pure Substances

(Elsevier, New York, 1973)

Data are presented in the form of constants for the Antoine equation for the temperature

dependence of the vapor pressures of 806 substances in the normal and low pressure region.

Almost all of the substances contain carbon. Experimental data from selected original

sources are given, together with smoothed values obtained from the Antoine equations at the same temperature, and the absolute and percentage deviations. Standard deviations are calculated. A standard boiling point is calculated for each substance.

**********

96. Gedansky, L. M. , Woolley, E. M. , and Hepler, L. G, III, II Thermochemistry of Compounds and Aqueous Ions of Copper

Journal of Chemical Thermodynamics 2_, 561 (1970)

This article is a critical review and selection of thermochemical data for the element copper

and about 90 of its compounds and aqueous species. Tabulated are selected values of

A5f°, AGf", S° and electrode potentials at 25 °C. There are 89 references to the primary

literature

.

 A** AAA

32
97. Ingraham, L. L. , and Pardee, A. B. I, III Free Energy and Entropy in Metabolism in Metabolic Pathways, Volume I (D. M. Greenberg, editor)

(Academic Press, New York, 196 7)

This chapter contains a general discussion of the thermodjmamics of metabolic processes,

with the (unevaluated) data itself being presented in the course of the discussion. The

emphasis is almost entirely upon Gibbs energy changes measured under physiological or near

physiological conditions. There are 143 references to the primary literature.

*****

98. Jazimirski (Yatsimirskii) , K. B. ^

Thermochemie von Komplexverbindungen

(Akademie-Verlag, Berlin, 1956) translated from the Russian by Georg Crull

Thermochimia Complexnik Coedinenie

(AKAD NAUK CCCP, MOCKVA 1951)

This monograph correlates thermochemical data of complex compounds in terms of gas, crystal, and solution models emphasizing ionic radii. More than 1400 substances are considered. In summary tables, 52 metal cations, 33 neutral ligands, and 25 anions have

enthalpies of formation listed, usually for gaseous and aqueous state. The compounds

formed from these ions and ligands are listed usually with the enthalpy of formation of the

crystal, and for many of them enthalpies of solution at infinite dilution are given. The

chapters discuss and give tables and correlations of hydration enthalpies of cations, anions

and some amine salts, ion entropies in solution, enthalpies of formation and solution, energies

of gas and crystal ions, binding energies of H^O, NH^ and other molecules to central metal

ions in gaseous complex ions and similar binding energies.

**********

99. Keenan, H. J., Keyes , F. G., Hill, P. G. , and Moore, J. G. Ill, II Steam Tables - Thermodynamic Properties of Water, Including Vapor, Liquid, and

Solid Phases (International Edition, Metric Units)

(John Wiley & Sons, New York, 1969)

This book presents the results of a new and independent correlation of the thermodjmamic

data for water. It is a complete revision of the Keenan and Keyes Tables of 19 36. Values

are tabulated for the specific volume, internal energy, and enthalpy, as functions of

temperature and pressure. Also given are data for vapor-liquid and vapor-solid equilibrium,

superheated vapor, and the compressed liquid. Mollier and temperature-entropy charts are included along with charts of heat capacity of liquid and vapor. Prandtl number, and

isentropic expansion coefficient. The data and tables are discussed in an appendix of 25 pages and a list of 37 references is given.

**********

33
100. Naoomov, G. B., Rhizhenko, B. N., and Kodakovskll, I. L. Ill, II Handbook of Thermodynamic Quantities

(In Russian)

(Atomizdat, Moscow, 1971)

This reference book contains a compilation of thermodynamic data for about 2000 chemical

compounds and aqueous ions (mostly inorganic) . The thermodynamic properties tabulated are

A(?f°, A^?f°, S° , and Cp° at 298 K; electrode potentials; enthalpies and entropies for phase

transitions; AGf° of inorganic aqueous ions from 25 to 350 °C; partial molal heat capacities

from 10 to 130 °C; and the partial molal volumes of aqueous electrolytes at high temperatures

and pressures. There are 1550 references given to the primary literature and to the literature

evaluations of others.

**********

101. Stull, D. R. II, III Vapor Pressure of Pure Substances. Organic Compounds

Industrial and Engineering Chemistry 39^, 517 (1947)

and

Vapor Pressure of Pure Substances. Inorganic Compounds

Industrial and Engineering Chemistry 39^, 540 (1947)

These articles contain evaluated vapor pressure data on over 1200 organic and 300 inorganic

compounds. Given for each compound are those temperatures at which the compound has a given vapor pressure.

**********

102. Travers, J. G., Dellieu , I., and Hepler, L. G. Ill, II Scandium: Thermodynamic Properties, Chemical Equilibria, and Standard Potentials

Thermochimica Acta L5, 89 (1976)

This article is a critical review and selection of thermochemical data for the element

scandium and its compounds including aqueous species. Tabulated are selected values of

AFf°, AGf°, S" and electrode potentials at 25 °C. There are 79 references to the primary

literature

.

**********

34
AUTHOR INDEX

Ackermann, T. Alkens , D . A

Alberty, R. A. Anderson, H. L. Andrussow, K. Armstrong, G, T. Arnett, E. M. Amett, R. L. Ashcroft, S. J. Atkinson, G. Atkinson, M. R,

Bailey, S. M. Barnes , D . S

Baes, C. F., Jr. Bates, R. G,

Battino, R. Beckett, C. W. Benderskii, V. A. Benson, S. W,

Bergman, G. A. Bichowsky, F. R. Bondi, A. Boublik, T.

•

Bowers , V . A

Brewer, L. Brown, H. D. Brown, G . W. , Jr

Brown, R, M. Burton, K.

Cabib, E. Cardini, C. E. Chao , J

Chapman, T. W. Chariot, G. Christensen, J. J, Churney, K. L. Clark, W. M. Clever, H. L.

entry

10

53

1

26

46

217,71

71

3 29

24

8463

93

53,78,94

4,5,87

7281

6,7

27

8

9 95

53

49

10

24

7147,51

24

24

771112

13,14,38,7!

84

15

5

CODATA

Coetzee, J. T. Cohen, P. 0. Connolly, T. N. Covington, A. K. Cox, J. D. Cruickshank, F. R.

Datta, S, P. Davies, C. W. Dellieu, I. DeWane, H. J, Domalski , E . S

Dorsey, N. E. Dymond , J . H

Eagland, D. Eatough, D. J. Ebert, J. P. Evans , W . H

Florkin, M.

Fox, D. Franks, F. Fried, V. Friedman, H. L. Furukawa, G. T.

Garvin , D

George, P. Glushko, V. P. Goldberg, R. N. Golden, D. M. Good, N. E. Guggenheim, E. A. Gurvich, L. V. Grzybowski, A. K.

Hade, K., Jr. Hala, E.

entry

16

1724

78

1920,63

7

51

29102

302,21

2223

26

14

7273,84

24

2526

9526

2

60

67

27

28

7

78

342751

78

95

35
Halow, I. Hamer, W. J. Hamed, H. S. Haugen, G. R. Hawkins, D. T. Head, A. J. Henderson, R. W,

Hepler, L. G,

Hill, J. 0. Hill, P. G. Hogfeldt, E. Horne, R. A. Hutchens, J. 0.

Ingraham, L. L. Iseard, B. S. Izatt, R. M. Izawa, S.

Jaffa, I. Jameson, R. F. Janz, G. J.

entry

84

20,29,31,32,90

29,33,34

7 3563

78 17,28,36,37,92,96,

102

37

99

75- 56

78

97

63

13,14,38,78

78

73

7739,40

Jazimirski(Yatsimirskii)^ K.B . 98

Jencks, W. P, 78 Jordon, T. E. 41

Joshi, R. M. 42

Karpet'yants, M. Kh. 43

Karapet'yants, M. L. 43

Kaufmann, D. W. 44

Kazavchinskii , Ya. Z. 45

Kell, G. S. 26 Keenan, H. J. 99

Kessel'man, P. M. 45

Keyes, F. G. 99

Kilpatrick, J. E. 72 King, E. J. 34 Kirillin, V. A. 45

Kodakovskii, I. L. 100

Kornberg, H. L. Kortum, G. Krebs, H. A,

Krescheck, G. C. Krishnan, C. V.

Labes, M, M. Lange , E

.

Larson, J. W. Latimer, W. M. Laugh ton, P. M. Lax, E, Leloir, L. F. Levine , S

.

Lewis , G . N

.

Linke, W. F. Loach, P. A. Long, C.

Markley, K. S. Martell, A. E,

Mason , H

.

McCullough, J. P. McKelvey, D. R. Medvedev, V. A. Meites, L. Mesmer, R. E. Merrill, A. L. Miller, D. G. Millero, F. J. Mills, R. Mischenko, K. P. Moore, J. G. Mortimer, C. T. Morton, R. K. Morton, T. C.

Naoomov, G. B. Newman , J

.

entry

47

46

47

78

26

25

2917

48

17

7424

73

4950

78 51

78

52,75

2425

1727

53

93

54

34,55

56,57

3458,77

99

3 2478

100

11

36
entry entry

Olofsson, G. 36 Sillen, L. G. 75 Ono, S. 10 Silvester, L. F. 76 O'Neal, H. E. 7 Singh, R. M, M. 78 Owen, B. B. 33 Sinke, G. C. 80 Skinner, H. A. 77,80

Pardee, A. B. 97 Smith, E. B. 23

Parker, V. B. 59,60,84 Smith, R. M. 52,75

Parsons, R. 61 Sober, H. A. 78

Pauling, L. 62 Spedding, F. H. 29

Pedley, J. B. 63 Stephen, H. 79 Perrin, D. D. 64,65 Stephen, T. 79 Phillips, R. G. 66,67 Stokes, R. H. 34,70

Pilcher, G. 20,63,77 Stull, D. R. 80,101

Pimentel, G. C. 71 Sychev, V. V. 45 Pitzer, K. S. 49,71,72,76

Poltoratzkii, G. M. 58 Takahashi, K. 10

Pourbaix, M. 68 Tatevskii, V. M. 81 Taylor, W. J. 72 Randall, M. 49 Timmermans, J. 82,83

Regenstein, J. 78 Timrot, D. L. .45 Reid, D. S. 26 Todheide , K

26 Reid, R. C. 69 Tomkins, R. P. T. 40

Reilly, C. N. 53 Travers, J. G. 102

Reilly, M. L. 2 Rhizhenko, B. N. 100 Vasil'ev. V. P. 91

Ritchie, C. D. 17 Vogel, W. 46 Riukin, S. 45

Robertson, R. E. 17 Wadso, I. 77 Rob inson , R . A

34,70 Wagman, D. D. 60,73,84

Rogers, A. S. 7 Walsh, R. 7 Rossini, F. D. 8,71,72,73 Washburn, E. W. 85 Rutman, R. J. 67 Watt, B. K. 54

Rytting, J. H. 38 Weisberger, A. 25 Werner, H. C. 72 Schafer, D. 74 Westrum, E. F. 25,80,86

Schmidt, C. L. A. 78 Wilhelm, E. 5,87

Schunm, R. H. 84 Wilhoit, R. C. 2,10,88,89

Shaw, R. 7 Williams, M. D. 72 Sheindlin, A. E. 45 Winget, G. D. 78

Sherwood, T. K. 69 Winter, W. 78 Shpil'rain, E. E. 45 Wood, R. H. 26

37
Woolley, E. M. Worsley, I. G. Wu, Y. C.

Yarovoi, S. S. Yatsimirski, K. B.

Zordan, T, A. Zwolinskl, B. J.

entry

96

3731,32,90

8191,98

92

42,77,88,89
SUBJECT INDEX

entry

acetic acid esters

hydrolysis 78

acid constants 75 see also equilibrium constants

acids, inorganic

dissociation constants 59,64,75,78

thermodjTiamics in water (and 58,59

nonaqueous solvents)

acids , organic

decarboxylation 78 dissociation constants 17,46,51,53,75,78

hydrolysis of esters 78 vapor pressures 41

acids, strong 70

activation energies

polymerization 42

activity coefficients

amino acids 78

from diffusion data 29

inorganic electrolytes 11,18,32,33,34,70

multi component electrolyte solutions 34 of rare earths 29 organic electrolytes 18,32,33,70

peptides 78 sodium chloride in water 76 strong electrolytes 48,49,70

uni-polyvalent electrolytes 90

uni-univalent electrolytes 32

adenine nucleotides 66

adenosine 66

adenosine-5 '-diphosphate 1,10,67

39-
adenosine-5 '-triphosphate

albumin

alcohols

Gibbs energy changes

thermodynamic properties

vapor pressures

aldehydes

vapor pressures

alicyclic organic bases

dissociation constants

aliphatic organic bases

dissociation constants

alkali metal salts

thermodynamics of solutions

amides

hydrolysis

amino acids

activities

enthalpies of combustion

enthalpies of solution

entropies and enthalpies of formation

Gibbs energy of formation

Gibbs energy of formation in

solution

Gibbs energy of solution

heat capacities, entropies

ionization thermodynamics

solubilities

thermodynamics in aqueous solution

ammonia

metabolism

ammonium ions

acid ionization thermodynamics

anilines

redox potentials
anilinium ions

acid ionization thermodynamics

entry

17

aqueous electrolytes 11,17,26,58,59

aromatic organic bases

dissociation constants 65

barbituric acids

ionization thermodynamics 17

base constants 75 see also equilibrium constants

bases

see also acids

inorganic 53,58,59,64,78

organic 5 3,65,78

thermodynamics in water (and 58,59

nonaqueous solvents

bibliography

thermodynamic data 77 water 35

binary systems

inorganic 83

organic 83

physical data 83

solubilities in 79

binding constants

see also equilibrium constants

metal-buffer complexes 78

biochemical pathways 47

biosynthesis

Gibbs energy changes 24

boiling point

estimation 69

organic compounds 82,!

41
buffer solutions

entry

18,51,78

carbohydrates

isomerization and hydrolysis 10

carboxylic acids

see acids, organic

cations

thermodynamics of hydrolysis

C,H,N,0,P,S compounds 2,21

CODATA 16,60

colloids

transport properties 18

combustion energy 2,20,21,54

complexes, metal-ligand

inorganic ligands 3,13,75

organic ligands 3,13,75

compressibilities

aqueous electrolytes 29

organic compounds 82

conductance

aqueous electrolytes 18,29,30,33,70

binary systems 83

non-aqueous electrolytes 40

copper compounds

thermochemistry 9°

42
entry

creatine

enthalpy of combustion and formation 78

Gibbs energy of formation 78 heat capacity, entropy, entropy 78 of formation

creatinine

enthalpy of combustion and formation 78

entropy of formation 78 Gibbs energy of formation 78

heat capacity, entropy 78

critical properties

estimation 67,69

organic compounds 82 water 26

density

alcohols 89 aqueous electrolytes 29 inorganic electrolytes 11,18,33,74

non-aqueous electrolytes 40

organic compounds 82 organic electrolytes 33j74

water 26

deoxyribonucleic acid 38,75

deuterium oxide

physical properties 40

thermodynamic properties of 26 electrolytes in

dielectric constants

aqueous electrolyte solutions 18

binary systems 83

non-aqueous electrolytes 40

of organic compounds 82 of water 26 solvents 18

diffusion constants

binary systems 83

inorganic electrolytes 11,18,29,33,70

organic electrolytes 18,33,70

43
dilution, enthalpy of

entry

27,58,59,84

dipole moments 18

dissociation constants

aqueous electrolytes 18,29,33

inorganic acids and bases 64

ligands 75 organic acids, aqueous 46,51

organic bases 65

dyes and indicators bases

dissociation constants 65

electrochemical data 18 binary systems 83

electrochemical potentials

biological oxidation-reduction 47 reactions

copper compounds 96 in non-aqueous electrolyte 40

solutions

in organic solvents 70 inorganic substances 12,68

manganese compounds 92

mercury compounds 36 platinum metal compounds 28 scandium compounds 102

vanadium, niobium, and 37 tantalum compounds

electrode processes 18

electrolytes 11,18,33,70,77

aqueous and non-aqueous 49,58

current awareness bulletin 19 data handbook 61

dilution of 27,29,59,84

equilibrium constants of 3,13,17,38,46,47,51,5 3,64,65,75,

Gibbs energies, enthalpies, heat 3,13,17,26,27,38,47,73,75,84

capacities and entropies

irreversible thermodynamics 55 molar volumes 56,5 7 multicomponent systems 26,34

non-aqueous 40

osmotic coefficients 32,70,90

oxidation-reduction potentials 15,47,48,75

sodium chloride 40,76

44
Electrolytes (Continued) entry

solubilities 50,78,79

thermodynamics of mixing 26

uni-polyvalent 90

uni-univalent 32,59

viscosity 34

energy transformations in living matter 47

energy values of foods 54

enthalpy

apparent molal 33

enthalpies of salts, acids and 58

bases vs T and concentration in

water and organic solvents

estimation 9,39

partial molal 18,49

enthalpy change

conformational change of 78

macromolecules

of binding of metal ions to organic 52

ligands

of complex formation 13,38,58

of dilution 2,29,40,58,59,73,83,84

of formation 2,3,6,7,8,10,16,20,21,26,27,28,36,37,39,42,43

48,58,60,63,71,72,73,74,78,80,84,91,92,93,96,98,

100,102

of formation, estimation 6,7,69,74,81

of hydration of ions in water 26,98

of hydrolysis 93

of ionization 17,58,59,78,82

of mixing electrolytes 26

of multidentate macro cyclic 14

compounds

of polymerization 42

of protonation of adenosine and 66

adenine nucleotides

of protonation of nucleic acids, 38 nucleotides and nucleosides

of protonation of organic ligands 52

of solution 2,27,29,58,59,73,78,83,84,98

45
Enthalpy change (continued) entry

of solution of hydrocarbons, 26 alcohols, and rare gases in water

of solution for non-aqueous 40

electrolytes

entropy 2,6,7,10,43

alcohols 89 amino acids and related compounds 78 aqueous species 27 copper compounds 96

dissolved acids, salts, bases in 58

water and non-aqueous solvents

estimation 6,7,9,39,48

hydrocarbons 71,72

inorganic compounds 27,60,73,74,84

key values 16

manganese compounds 92

mercury compounds 36 of hydrolysis 93

of water 26 organic compounds 27,43,73,74,80,84

platinum metal compounds 28

scandium compounds 102

single ion 26 vanadium, niobium, and tantalum 37

compoiinds

entropy change

of binding of metal ions to 52

organic ligands

of complex formation 3,13,38

of dilution 2 of formation 3,36,78

of hydration of ions in water 26 of ionization 17,58,78

of multidentate macrocyclic 14

compounds

of polymerization 42 of protonation of nucleic acids, 38

nucleotides, and nucleosides

of protonation of organic ligands 52

of solution 2,58

of solution of gases in liquids 87

of solution of hydrocarbons, alcohols 26 and rare gases in water

46
enzyme catalyzed reactions

entry

10,47,78

equilibrium constants

acid-base 34,51

for amines 52

for amino acids 52

for inorganic complexes 75,91

metal ion-ligand 13,38,53,75

multidentate macrocyclic compounds 14 of formation 73,80,84

of hydroiysxs 9 3 of ion pairing 29

of polymerization 42

proton transfer reactions 5 3 protonation of adenosine and adenine 66

nucleotides

protonation of nucleic acids, 38 nucleotides, and nucleosides

esters

Gibbs energies of hydrolysis

estimation, properties (various kinds) 6,7,9,20,39,48,69,80,81,98

ethanol as solvent

thermodynamic properties of acids,

bases, salts in

ethanol-water mixtures

acid dissociation in 53

fatty acids

solubilities 78

fermentation

Gibbs energy change 47

food and foodstuff ingredients

composition and energy values 54

47
entry

fugaclty

water 26

gases

diffusion constants in water 22 non-polar, properties estimation 9,69

polar, properties estimation 9,69

solubility in liquids 87 solubility in water 22

Glbbs energy

biological systems

estimation

51

39

Gibbs energy change

ammonia metabolism

biological oxidation-reduction

reactions

biosynthesis of saccharides

fermentation

glycolysis

metabolic processes

of decarboxylation

of dilution

of formation

of formation (estimation)

of hydration of ions in water

of hydrolysis

of ionization

of mixing electrolytes

of polymerization

of solution

of solution of hydrocarbons,

alcohols, and rare gases in water

phosphates hydrolysis

tricarboxylic acid cycle urea biosynthesis

2,3,10

2447,51

2447

47

24,47,51

782,58

2,3,10,26,27,28,36,-37,43,47,48,5 8,60,68,71,72,

73,74,78,80,84,92,96,100,102

6,7,69,74,81

2678,93

17,58

26422,58,78

26

1,24,67

47

24

glasses

see solids

glucose

partial molal properties 10

glucosides

hydrolysis 10

glycerol

partial molal properties 10

48
\

entry

glycine

partial molal properties 10

glycolysis 47

glycosides

hydrolysis 78

group contributions 6,7,39,74

half-cell potentials 18

heat capacity 10

alcohols 89 amino acids and related compounds 78

binary systems 83

C,H,N,0,P,S compounds 2 dissolved acids, salts, bases in 58

water and non-aqueous solvents

estimation 6,7,9,39,69

partial molal 49, 100

sodium chloride in water 76 uni-univalent electrolytes 59

water 26

heat capacity change

of complex formation 13,38

of hydration of ions in water 26 of ionization 17

of multidentate macrocyclic 14

compounds

of protonation of nucleic acids, 38

nucleotides, and nucleosides

of solution of hydrocarbons, 26

alcohols, and rare gases in water

heat content

see enthalpy

heat of formation

see enthalpy changes of fomation

heavy water

see deuterium oxide

49
helix random coil transition

entry

10

hemoglob in

mobility 18

hemoproteins

oxidation-reduction potentials 78

heterocyclic organic bases

dissociation constants 65

hydrobromic acid

conductance data 30

hydrochloric acid

conductance data 30

hydrofluoric acid

conductance data 30

hydroiodic acid

conductance data 30

hydrogen ion concentration 1.24

hydrolysis

metal ion hydrates

of ATP, ADP

thermodynamics

hydroxyl ion

as a ligand

1,10,47

7567

93

64,75

ice

ionic equilibrium constant

transport properties

2626

index, substance-property 86

indicator bases

dissociation constants 65

inorganic

electrolytes

ligands

11,18,27,48,56,58,59,70,73,84

see ligands

50
entry

inorganic compounds

chemical bonding

current awareness bibliography

solubilities

thermodynamic properties

inorganic ligands

see ligands

instability constants

see equilibrium constants

insulin 75

interface potentials 18

intermolecular forces

estimation 69

international critical tables 85

ionic strength, effects 38,53,67

ionic transport coefficients 55

ionization

aqueous acids 17,53

ionization constants

acids and bases 78 organic acids 70

irreversible thermodynamics 55

isomerization

carbohydrates 10

isotope effects . 17

13

62

8650,79

8,12,27,73,74,84

51
entry

Lennard-Jones potential

see intermolecular forces

ligands 3,13,53,75

liquids

properties estimation 9,69

liquid-junction potentials 18

macromolecules

as ligands 75 current awareness bibliography 86 helix-random coil transitions 10

transport properties 18

magnesium ion (effects) 1,24,67

manganese compounds

thermochemistry 27,43,84,92

melting point

non-aqueous electrolytes 40

mercury compounds

thermochemistry 27,36,43,84

metabolic processes 47 97

metal complexes 3,6,13,53,75,77,91

hydrated ions 64

with buffers 78

with nucleic acids, nucleotides 38 and nucleosides

me t al lop o rphy rins

oxidation-reduction potentials 78

metal-organic compounds

solubilities 50

thermodynamic properties 6,20,41

methanol as solvent

thermodynamic properties of salts, 58

acids and bases In

52
entry

methanol -water mixtures

acid dissociation in 53

mixed electrolytes 70

mixed solvent systems 2,40,5 3

mixtures, fluid

current awareness bibliography 86 estimation of properties 69

mobilities

ionic 18

proteins 18

molar volume

see volume

multi- component systems

solubilities in 79

multidentate macrocyclic compounds 14

NAD redox potentials 15

NADP redox potentials 15

natural product bases

dissociation constants 65

niobium compounds

thermochemistry 27,37,43,84

nitrogen compounds

enthalpy of formation 20,27,43,80,84

non-aqueous solvents

electrolytes in 58

metal-ligand complexes in 75 solubilities in 50

53
entry

non-polar gases

see gases

nucleic acids 75

nucleosides 38

nucleotides 38

nutrients

see foods

organic bases

dissociation constants 65

organic compounds 3,4,18,20,21,25,39,42,43,46,56,74,80,82,101

C2or 27,73,84

current awareness bibliography 86 solubilities 78

organic electrolytes

molar volumes 56

properties 70 thermodynamic quantities 59

organic ligands

see ligands

organo-metallic compounds

see metal organic compounds

osmotic coefficients

inorganic electrolyte 18,32,70

organic electrolytes 18,70

sodium chlorides in water 76 uni-polyvalent electrolytes 90

uni-univalent electrolytes 32

oxidation- reduction potentials

biological systems 47,51

hemoproteins and metalloporphyrins 78 organic systems 15 selected 78

54
partial molar volumes

see volvnne

entry

peptides

activities in aqueous solution 78 enthalpy of combustion and formation 78 Gibbs energy of formation 78 heat capacities, entropies 78

pH

acid-base equilibria

ATP hydrolysis

determination of

effect on oxidation reduction

potentials

effects on reactions

of buffers

51

67

94

48

1,24,38

78.94

phenols

acid dissociation constants, aqueous 46

ionization thermodynamics 17 redox potentials 15

phosphates

Gibbs energy and biosynthesis

hydrolysis

24

78

phosphorous compounds

enthalpy of formation

physiological energy use

27,43,63,84

54

pK values

acids and bases

buffers

isotope effects

53,64,78

78

17

platinum metal compounds

thermochemistry 27,28,43,84

polar gases

see gases

55
entry

polarographic data

for non-aqueous electrolyte 40

solutions

polymers

polymerization processes 42

properties estimation 9

porphyrins

redox potentials 15

potential diagrams (emf)

elements and compounds 48

pressure, effect of on enthalpy, entropy, internal energy, 69

heat capacity, estimation

proteins

heat capacities, entropies 78

proton transfer reactions

equilibrium constants, aqueous 53

quinones 15 redox potentials 15

rate constants

polymerization 42

red cells

mobilities 18

redox potentials

see oxidation-reduction potentials

refractive index

alcohols 89 organic compounds 82

ribonucleic acid 38,75

56
entrysac char ides

biosynthesis and Gibbs energy 24

salts

thermodynamic properties in water, 58

methanol, ethanol and other organic

solvents

thermodynamic properties of 59

uni-univalent in solution

scandium compounds

thermochemistry 96

serum albumin

mobility 18

silicon compounds

enthalpy of formation 24,43,63,84

sodium chloride 40,76

solids

crystalline, properties estimation 9 glasses, properties estimation 9

solubilities

amino acids

elements, inorganic compounds,

organic compounds

fatty acids in water

gases in liquids

in non-aqueous electrolytes

triglycerides

water in fatty acids

18,50

78

79

784,87

40

78

78

solubility constants

see also equilibrium constants

75

spectroscopic data

for non-aqueous electrolyte solutions 40

stability constants

see equilibrium constants, binding constants^

metal complexes

57
entry

structure, relation to physical properties 9,39

stilfur compounds, organic 88

surface tension

binary systems

estimation

83

69

tantalum compounds

thermochemis try 27,37,43,84

ternary systems

solubilities in 79

thermal conductivity

of water 26

thiol esters

hydrolysis 78

transference niomber

in non-aqueous electrolytes

inorganic electrolytes

organic electrolytes

40

11,18,33,74

18,33,74

transitions

coil to helix

homopolymer to coil helix

2626

transition metal complexes

see metal complexes

transport coefficients, ionic 54,55,70

tricarboxylic acid cycle

Gibbs energy changes 47

58
entry

triglycerides

solubilities 78

urea 78

biosynthesis 24 enthalpy of formation and 78 combustion

Gibbs energy of formation 78 partial molal properties 10

vanadium compounds

thermochemistry 27,37,43,84

vapor pressure

alcohols 89 aqueous electrolyte solutions 18 binary systems 83

C,H,N,0,P,S compounds 2 estimation 9,69,81

non-aqueous electrolyte solutions 40 organic compounds 2,25,41,82,88,95,101

water 26 , 88

virial coefficients 23

viscosity

binary systems 83

estimation 9,69

Inorganic electrolytes 11

non-aqueous electrolytes 40

organic compounds 82

water 26

volume changes on hydration of ions in water 26 on mixing liquids 4

volumes , molar

aqueous ions and electrolytes 56,5 7,100

liquids, binary mixtures 4 liquids, estimation 69 water 56,57

59
bibliography

treatise on thermodynamic properties

vapor pressure and enthalpy

vaporization
NBS-114A (REV. 7-73)

U.S. DEPT. OF COMM. BIBLIOGRAPHIC DATA

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1. PUBLICATION OR REPORT NO. NBS SP-454

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3. Recipient's Accession No.

An Annotated BibliographBr of Compiled Thermodynamic Data Sources

for Biochemical and Aqueous Sjystems (1930 to 1975)

Equilibrium, Enthalpy, Heat Capacity, and Entropy Data

5. Publication Date September 1976

6. Performing Organization Code

7 AUTHOR(Si George T. Armstrong and Robert N. Goldberg

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16. ABSTRACT (A 200-word or less (actual summary of most significant information. If document includes a significant bibliography or literature survey, mention it here.) Contained herein is a selected and annotated bibliography of sources of

compiled and evaluated chemical thermodynamic data relevant to biochemical

and aqueous systems. The principal thermodynamic properties considered

herein are Gibbs energy and equilibrium data, enthalpies of formation

and reaction, heat capacities and entropies, and the corresponding partial

molal properties. Derived quantities used in calculating the above are also included. Transport and mechanical data have also been identified

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