A search for the enthalpy of formation of a particular compound can be a difficult task. So it is of great benefit that the values be collected together in one comprehensive compilation. Thermochemical Data and Structures of Organic Compounds presents approximately 3000 enthalpies of formation of organic compounds. There are many instances of large discrepancies reported for a particular compound. Thus, selection of the "best" value becomes a challenge for the person who is not a practicing thermochemist, but who only wishes to use the data. A critical evaluation of the values presented becomes desirable. This compilation presents about 3000 enthalpies of formation of organic compounds, all critically evaluated.

The purpose of the material in this book is to enable users of thermochemical data to predict values for standard enthalpies ofreactions involving organic compounds ranging in complex ity from simple alkanes to biologically important compounds such as amino acids. Chapter 1 contains tables of values for standard enthalpies of formation derived from experimental data for approximately 3000 organic compounds of the elements C, H, 0, N, S and halogens; Chapters 2 to 4 describe a simple scheme for predicting unknown values of standard enthalpies of formation. Data presented in the book are stored in a data base at the University of Sussex and with associated software provides a simple but efficient method for dealing with thermochemical problems in organic chemistry. The experimental data used in the computer calculation of the values for standard enthal pies of formation are clearly indicated in Table 1.2. Where alternative values for a given standard enthalpy of formation may be derived, from independent measurements, we have clearly indicated those which are regarded by the assessors as definitive and which are therefore used to derive the value for the compound concerned. We do not, however, give reasons for the assessors choice nor are details given of experimental techniques. The literature search for suitable references was discontinued in 1983 to allow development of the predictive scheme and the computer techniques for handling the data.

For the practical application of thermochemistry to the development and control of tech nical processes, the data for as many substances as possible are needed in conjunction with rapid and simple methods of calculating equilibrium constants, heat balances and the EMF of galvanic cells. For these three types of calculation the following three ther modynamic functions are suitable: The Planck function, the enthalpy and the Gibbs free energy, which are here defined and tabulated as unambigous functions of temperature for pure substances. The first edition of the tables was published in 1973 under the title "Thermochemical Properties of Inorganic Substances". The present supplementary volume contains the data and functions for a further 800 inorganic substances. In addition, the data for about 250 substances from the first volume have been up-dated. These usually small corrections produce better consistency with the data from more recent publications. The comments of users and reviewers of the first volume have largely been concerned with the difference between the present thermodynamic functions and the system used in the JANAF tables, the somewhat unconventional handling of heat balances adopted here, the notation of cell reactions, the description of non-stoichiometric phases and the accuracy of the tabulated data. To answer these questions and criticims the theore tical concepts and the practical use of the tables are dealt with in more detail in the introduction, following the recommendation of some reviewers.

First published in 1958 under title: Estimation of thermodynamic properties of organic compounds.; Bibliographical footnotes.

The CRC Handbook of Thermophysical and Thermochemical Data is an interactive software and handbook package that provides an invaluable source of reliable data embracing a wide range of properties of chemical substances, mixtures, and reacting systems. Use the handbook and software together to quickly, and easily generate property values at any desired temperature, pressure, or mixture composition.

Thermodynamic Properties of Organic Compounds: Estimation Methods, Principles and Practice, Revised Edition focuses on the progression of practical methods in computing the thermodynamic characteristics of organic compounds. Divided into two parts with eight chapters, the book concentrates first on the methods of estimation. Topics presented are statistical and combined thermodynamic functions; free energy change and equilibrium conversions; and estimation of thermodynamic properties. The next discussions focus on the thermodynamic properties of simple polyatomic systems by statistical thermodynamic methods. Discussed are molecular energy of an ideal gas; partition function and thermodynamic properties; and calculation of statistical thermodynamic functions. The book also notes the dynamic properties of long chain hydrocarbons and the method of structural similarity. Tabulations and numerical representations are presented as well. Discussions also focus on methods of group contributions and group equations. Included are paraffins, unsaturated carbons, cyclic hydrocarbons, and nonhydrocarbon groups. The last part of the text focuses on heat formation and heat capacity; the applications of thermodynamic method; and numerical data. Included in the discussions are bond energies and binding energies; gaseous free radicals and ions; and hydrogenation of benzene. The book is an important source of data for readers interested in studying the thermodynamic characteristics of organic compounds.

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