Estimation of the Ideal Solubility (Crystal-Liquid Fugacity Ratio) of Organic Compounds

被引：32

作者：

Yalkowsky, Samuel H. ^{[1
]}

Wu, Min ^{[1
]}

机构：

[1] Univ Arizona, Coll Pharm, Dept Pharm Practice & Sci, Tucson, AZ 85721 USA

来源：

JOURNAL OF PHARMACEUTICAL SCIENCES | 2010年 / 99卷 / 03期

关键词：

thermodynamics; solubility; crystals; crystallization; solid state; MOLAR HEAT-CAPACITIES; GROUP ADDITIVITY; ESTIMATING ENTROPIES; MOLECULAR-STRUCTURE; MELTING-POINT; TEMPERATURE; HYDROCARBONS; ENTHALPIES; FUSION;

D O I：

10.1002/jps.21897

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Melting point, entropy of melting and heat capacity of melting are required for the calculation of the ideal solubility of a solid solute via the Clausius-Clapyron equation. This article reviews the published approximations of estimating entropy and heat capacity of melting. By comparing the available experimental results to calculated values the authors attempt to identify the best estimation of the ideal solubility and crystal-liquid fugacity ratio for organic compounds. (C) 2009 Wiley-Liss, Inc. and the American Pharmacists Association J Pharm Sci 99:1100-1106, 2010

引用

页码：1100 / 1106

页数：7

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