SOLUBILITIES AND PARTITIONING .2. RELATIONSHIPS BETWEEN AQUEOUS SOLUBILITIES, PARTITION-COEFFICIENTS, AND MOLECULAR-SURFACE AREAS OF RIGID AROMATIC-HYDROCARBONS

被引：156

作者：

YALKOWSKY, SH

VALVANI, SC

机构：

[1] The Upjohn Company, Pharmacy Research, Michigan

来源：

JOURNAL OF CHEMICAL AND ENGINEERING DATA | 1979年 / 24卷 / 02期

关键词：

D O I：

10.1021/je60081a021

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

The aqueous solubilities of 31 polycyclic aromatic hydrocarbons and indan can be accurately estimated from melting point and either molecular surface area or f values. (The latter being an approximation of the octanol-water partition coefficient based upon group contribution values.) In both cases, the coefficient of the melting point term is close to 0.01 and the correlation coefficient exceeds 0.987. © 1979, American Chemical Society. All rights reserved.

引用

页码：127 / 129

页数：3

共 15 条

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[10] SOLUBILITY OF NONELECTROLYTES IN POLAR-SOLVENTS .6. REFINEMENTS IN MOLECULAR SURFACE-AREA COMPUTATIONS
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