A GROUP-CONTRIBUTION CORRELATION FOR PREDICTING THE ACENTRIC FACTORS OF ORGANIC-COMPOUNDS

被引：52

作者：

HAN, BX ^{[1
]}

PENG, DY ^{[1
]}

机构：

[1] UNIV SASKATCHEWAN,DEPT CHEM ENGN,SASKATOON S7N 0W0,SASKATCHEWAN,CANADA

来源：

CANADIAN JOURNAL OF CHEMICAL ENGINEERING | 1993年 / 71卷 / 02期

关键词：

ACENTRIC FACTOR; GROUP CONTRIBUTION METHOD; ORGANIC COMPOUNDS;

D O I：

10.1002/cjce.5450710223

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

A group-contribution correlation has been developed for the estimation of the acentric factors of organic compounds. The novelty of the proposed method is that it involves the use of only the structural information of the compounds. For the 219 substances considered in this study, the calculated results deviate from the literature values by an average error of 4.2 %.

引用

页码：332 / 334

页数：3

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