苯甲酰苯胺衍生物的水溶性和正辛醇/水分配系数的测定与估算

Determination and estimation of water solubilities and octanol/water partition coefficients for derivates of benzanilides.

作者信息

Dai J, Jin L, Wang L, Zhang Z

机构信息

Department of Environmental Science and Engineering, Nanjing University, P.R. China.

出版信息

Chemosphere. 1998 Oct;37(8):1419-26. doi: 10.1016/s0045-6535(98)00132-5.

DOI:10.1016/s0045-6535(98)00132-5

PMID:9753760

Abstract

A shake-flask method was used to determine the water solubilities (Sw) and the octanol/water partition coefficients(Kow) of 14 derivates of benzanilides. The results showed that the octanol/water partition coefficients were correlated (r=-0.93) with Sw. The linear solvation energy relationship(LSER) and molecular connectivity methods have been used to establish correlation equation successfully. The LSER method was used to predict these partitioning properties more accurately. The estimated values were well fitted with observed ones.

摘要

采用摇瓶法测定了14种苯甲酰苯胺衍生物的水溶性（Sw）和正辛醇/水分配系数（Kow）。结果表明，正辛醇/水分配系数与Sw呈负相关（r=-0.93）。线性溶剂化能关系（LSER）和分子连接性方法已成功用于建立相关方程。LSER方法用于更准确地预测这些分配性质。估计值与观测值拟合良好。