溶解度
化学
水溶液
分配系数
电解质
热力学
色谱法
分析化学(期刊)
有机化学
物理化学
物理
电极
作者
Yingqing Ran,Yan He,Guangxiao Yang,Jennifer L. H. Johnson,Samuel H. Yalkowsky
出处
期刊:Chemosphere
[Elsevier]
日期:2002-08-01
卷期号:48 (5): 487-509
被引量:122
标识
DOI:10.1016/s0045-6535(02)00118-2
摘要
The general solubility equation (GSE) proposed by Jain and Yalkowsky was used to estimate aqueous solubility of 1026 non-electrolytes. The only parameters used in the GSE are melting points (MP) and octanol-water partition coefficients (Kow). No fitted parameters and no training set are employed in the GSE. The experimental solubility values were taken from the AQUASOL dATAbASE. The average absolute error and the root-mean-square error in the solubility estimates are 0.38 and 0.53 log units, respectively. Thus, with an observed MP and calculated Kow; the users can obtain a reasonable estimation of the aqueous solubility of any organic non-electrolyte.
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