RELATIONSHIPS BETWEEN AQUEOUS SOLUBILITY AND OCTANOL-WATER PARTITION-COEFFICIENTS
RELATIONSHIPS BETWEEN AQUEOUS SOLUBILITY AND OCTANOL-WATER PARTITION-COEFFICIENTS
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DOI：
10.1016/0045-6535(80)90122-8
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发表时间：
1980-01-01
期刊：
影响因子：
8.8
通讯作者：
YALKOWSKY, SH
中科院分区：
文献类型：
--
作者：
MACKAY, D;BOBRA, A;YALKOWSKY, SH
物理化学方程有关的溶解度辛醇水分配系数，并用于开发这些数量之间的新的相关性，其中包括熔点（逸度比）校正。对45种有机化合物的相关性令人满意，但对有机酸不适用。当应用于非常高分子量（> 290）的化合物时，相关性不太令人满意;或者是因为数据不准确，或者是因为这些化合物分配到有机相中的趋势比预期的要小。这可能会产生深远的环境影响。
The physical chemical equations relating solubility to octanol water partition coefficient are presented and used to develop a new correlation between these quantities which includes a melting point (fugacity ratio) correction. The correlation is satisfactory for 45 organic compounds but it is not applicable to organic acids. When applied to very high molecular weight (> 290) compounds the correlation is less satisfactory; either it is believed because the data are inaccurate or because the tendency for these compounds to partition into organic phases is less than expected. This may have profound environmental implications.