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.
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页码：127 / 129
页数：3
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