摘要
研究了多环芳烃正辛醇－水分配系数Ｋｏｕ与一阶价分子连接性指数＇Ｘｖ的相关性，首次提出了烃基校正因子（Ａ）的概念，建立了包含＇Ｘｖ和月两个参数的二元回归方程式。由该方程计算的各种取代和未取代多环芳烃正辛醇－水分配系数与文献测定值以及分子碎片常数法计算值十分吻合。
The correlation of n-octanol-water partition coefficient Kou and valence one ordermolecular connectivity index XV of polycyelic aromatic hydrocarbons (PAH,) was studied. Aalkyl correcting factor 'A' was defined and used to establish a two variable regression equationwhich involved ' Yv and A. log Kou of 4 0 PAH. and alkyl substituted PAH. were calculated with thetwo-variable regression equation and found to be very closed to those calculated according toLed's method and those reported in literature.
出处
《山东建材学院学报》
1996年第1期18-21,共4页
Journal of Shandong Institute of Building Materials
基金
国家自然科学基金
关键词
多环芳烃
正辛醇
分配
分子
指数
烃基
polycyclic aromatic hydrocarbons
n-Octanol-water partition coefficient
one order molecular conneetivity index
alkyl correcting factor
