Revised group additivity values for enthalpies of formation (at 298 K) of carbon-hydrogen and carbon-hydrogen-oxygen compounds

被引:251
作者
Cohen, N
机构
[1] Thermochemical Kinetics Research, Portland, OR 97202-8627
关键词
enthalpy of formation; estimation; group additivity; organic compounds; thermochemical properties;
D O I
10.1063/1.555988
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A program has been undertaken for the evaluation and revision of group additivity values (GAVs) necessary for predicting, by means of Benson's group additivity method, thermochemical properties of organic molecules. This review reports on the portion of that program dealing with GAVs for enthalpies of formation at 298.15 K (hereinafter abbreviated as 298 K) for carbon-hydrogen and carbon-hydrogen-oxygen compounds. A complete database of experimental data for gas, liquid, and crystal (solid) phase enthalpies of formation is presented. The GAVs, ring strain corrections, and non-nearest neighbor interactions derived from the database are presented in tabular form, together with a description of their evaluation and comments on reliability, uncertainties, and missing or questionable data. (C) 1996 American Institute of Physics and American Chemical Society.
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页码:1411 / 1481
页数:71
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