ESTIMATING ENTROPIES AND ENTHALPIES OF FUSION OF HYDROCARBONS

被引：42

作者：

CHICKOS, JS ^{[1
]}

HESSE, DG ^{[1
]}

LIEBMAN, JF ^{[1
]}

机构：

[1] UNIV MARYLAND,DEPT CHEM & BIOCHEM,CATONSVILLE,MD 21228

来源：

JOURNAL OF ORGANIC CHEMISTRY | 1990年 / 55卷 / 12期

关键词：

D O I：

10.1021/jo00299a027

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

A group additivity method for estimating fusion entropies and fusion enthalpies is described. The method is based on experimental fusion enthalpies of 191 hydrocarbons. Group values are provided for most structural environments. Applications of the technique are described, and comparisons with literature values and other estimation techniques are also included. The average deviation between experimental and calculated fusion entropies and enthalpies is ±1.85 eu and ±0.56 kcal/mol, respectively. © 1990, American Chemical Society. All rights reserved.

引用

页码：3833 / 3840

页数：8

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