Computer Analysis Of Thermochemical Data

Author : J. B. Pedley
Publisher : Springer Science & Business Media
ISBN 13 : 9400940998
Total Pages : 790 pages
Book Rating : 4.4/5 (9 download)

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Download or read book Thermochemical Data of Organic Compounds written by J. B. Pedley and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 790 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.