烃类化合物价分子连接性指数与正辛醇/水分配系数

Relationship Between Valence Molecular Connectivity Index and N-Octanol/Water Partition Coefficient of Hydrocarbon

建立了不分类预测烃类化合物正辛醇/水分配系数ｌｏｇＫｏｗ的模型．研究表明:烃类化合物ｌｏｇＫｏｗ与其一阶价分子连接性指数(ＩＸＶ)有较好的一元线性相关性．可简单准确地从烃类化合物ＩＸＶ预测其ｌｏｇＫｏｗ值．

The model based entirely on the chemical structure has been derived for accurate prediction of n-octanol/water partition coefficient of hydrocarbon without classification. The n-octanol/water partition coefficients can be predicted simply and accurately by their first-order valence molecular connectivity indexes.