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First published in 1958 under title: Estimation of thermodynamic properties of organic compounds.; Bibliographical footnotes.
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.
For scientists and engineers seeking to estimate properties of compounds, this time-saving Handbook brings together in one compact volume a vast array of property estimation methods from more than 2,700 published sources for calculating many properties of organic compounds. The property estimation techniques detailed in the Handbook have been chosen for their broad applicability and practical value. The discussion of each estimating technique includes a clear exposition of the technique, including classes of compounds for which it is applicable and critical consideration of its strengths and weaknesses, as well as many worked-out examples demonstrating the technique.
This book brings together data from Czechoslovakia on vapor pressures, data from England on critical properties, and data from America on physical properties of organic and organometallic compounds to provide a basic reference book for engineers and scientists involved with research and design in the chemical and petroleum industries. We would like to acknowledge Jaroslav Dykyj, Milan Repas, and Josef Svo boda of Czechoslovakia for providing the material on Antoine constants and Douglas Ambrose of the University of London for providing the material on critical properties. Stanislaw Malanowski pointed out and made available the sources of data from Eastern Europe. Richard Stephenson translated and correlated the data in tabular form. We would like to thank Dr. Matej Andras of the Slovenska Literarna Agentura for granting permission to use the data from Czechoslovakia and Dr. Marjan Bace of Elsevier Science Publishing Co., Inc., who encouraged preparation of this manuscript and handled the publishing arrangements. Particular thanks go to Mary Stephenson for typing the entire camera-ready copy. Richard M. Stephenson University of Connecticut Storrs, Connecticut Stanislaw Malanowski Institute of Physical Chemistry Warsaw, Poland vii Introduction All scientific and engineering calculations are dependent on the availability of thermodynamic and physical property data for the materials or systems in question. This dependency is particularly true in engineering design, which relies almost exclusively on computers for accurate data to produce meaningful final designs.
Determination of Organic Structures by Physical Methods, Volume 1 focuses on the processes, methodologies, principles, and approaches involved in the determination of organic structures by physical methods, including infrared light absorption, thermodynamic properties, Raman spectra, and kinetics. The selection first elaborates on the phase properties of small molecules, equilibrium and dynamic properties of large molecules, and optical rotation. Discussions focus on simple acyclic compounds, carbohydrates, steroids, diffusion, viscosity, osmotic pressure, sedimentation velocity, melting and boiling points, and molar volume. The book then examines ultraviolet and visible light absorption, infrared light absorption, Raman spectra, and the theory of magnetic susceptibility. Concerns cover applications to the study of organic compounds, applications to the determination of structure, determination of thermodynamic properties, and experimental methods and evaluation of data. The text ponders on wave-mechanical theory, reaction kinetics, and dissociation constants, including dissociation of molecular addition compounds, principles of reaction kinetics, and valence-bond treatment of aromatic systems. The selection is a valuable source of data for researchers interested in the determination of organic structures by physical methods.
For a chemist who is concerned with the synthesis of new energetic compounds, it is essential to be able to assess physical and thermodynamic properties, as well as the sensitivity, of possible new energetic compounds before synthesis is attempted. Various approaches have been developed to predict important aspects of the physical and thermodynamic properties of energetic materials including (but not limited to): crystal density, heat of formation, melting point, enthalpy of fusion and enthalpy of sublimation of an organic energetic compound. Since an organic energetic material consists of metastable molecules capable of undergoing very rapid and highly exothermic reactions, many methods have been developed to estimate the sensitivity of an energetic compound with respect to detonationcausing external stimuli such as heat, friction, impact, shock and electrostatic discharge. This book introduces these methods and demonstrates those methods which can be easily applied.