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正辛醇-水分配系数(P):测量、估算及解读,尤其针对P大于10⁵的化学品。

Octanol:water partition coefficients (P): measurement, estimation, and interpretation, particularly for chemicals with P greater than 10(5).

作者信息

Brooke D N, Dobbs A J, Williams N

出版信息

Ecotoxicol Environ Saf. 1986 Jun;11(3):251-60. doi: 10.1016/0147-6513(86)90099-0.

Abstract

Methods for measurement and estimation of octanol:water partition coefficients are discussed with particular reference to high values (log P greater than 5). A novel experimental method for P measurement is described and preliminary results presented. The use of high performance liquid chromatography capacity factors for estimating P values has been investigated; better correlations between the two parameters have been found if HPLC results at different methanol:water liquid phases are extrapolated to pure water, but even this procedure does not always give reliable P values. The interpretation of high log P values in terms of fish bioconcentration is discussed and the correlations of molecular connectivity and molecular weight with fish bioconcentration are presented.

摘要

本文讨论了辛醇-水分配系数的测量和估算方法,特别提及了高值情况(log P大于5)。描述了一种用于测量P值的新实验方法并给出了初步结果。研究了利用高效液相色谱容量因子估算P值的方法;如果将不同甲醇-水液相条件下的高效液相色谱结果外推至纯水,则发现这两个参数之间具有更好的相关性,但即便如此,该方法也并非总能给出可靠的P值。文中讨论了高log P值与鱼类生物富集的关系,并给出了分子连接性和分子量与鱼类生物富集的相关性。

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