用分子连接性指数计算烷基苯的化学  

Calculation of chemical exergier of alkyl benzene by using molecular connectivity index

作　　者：宣爱国[1] 陈亚琴[1] 徐美燚 阳毅 彭昌军[1] 

机构地区：[1]武汉化工学院化工系,湖北武汉430073

出　　处：《武汉化工学院学报》2002年第3期8-10,共3页Journal of Wuhan Institute of Chemical Technology

基　　金：湖北省教育厅重点项目 :2 0 0 0 A2 4 0 0 6

摘　　要：为建立从分子结构预测烷基苯化学火用的简单而准确的计算公式 ,本文分析了烷基苯化学火用与其分子连接性指数的关系 .得到了通过分子的连接性指数计算烷基苯化学火用的数学模型 .对 34种烷基苯化学火用计算结果显示 ,总的平均误差为 0 .1 73% .To obtain a simple and reliable formula to predict chemical exergier of alkyl benzene from its structure, The relationship between chemical exergier of alkyl benzene and its molecular connectivity index were analyzed and a mathematical model for calculation chemical exergier of alkyl benzene was proposed based on molecular connectivity index.It was shown that the total mean relative error is 0.173% for 34 alkyl benzene.

关 键 词：分子连接性指数 计算 烷基苯 化学YONG 

分 类 号：O625.11[理学—有机化学]