COMPARATIVE-EVALUATION OF METHODS PREDICTING WATER SOLUBILITY FOR ORGANIC-COMPOUNDS

被引：15

作者：

MULLER, M

KLEIN, W

机构：

[1] Fraunhofer-Institut für Umweltchemie und Ökotoxikologie

来源：

CHEMOSPHERE | 1992年 / 25卷 / 06期

关键词：

D O I：

10.1016/0045-6535(92)90067-2

中图分类号：

X [环境科学、安全科学];

学科分类号：

08 ; 0830 ;

摘要：

Two estimation methods for water solubility are compared for several sets of compounds. One method is the well known linear regression of the octanol/water partition coefficient (P(OW)) and water solubility. The other method uses connectivity indices and atomic and substructural parameters. The comparison revealed that, in general, regressions with partition coefficients yields more reliable results.

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页码：769 / 782

页数：14

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