计算环烷烃摩尔折射度的新方法  

A New Method for Calculating the Molar Refraction of Cycloalkanes

作　　者：杜仲祥[1] 

机构地区：[1]洛阳师范学院化学系,河南洛阳471022

出　　处：《洛阳师范学院学报》2001年第5期57-60,共4页Journal of Luoyang Normal University

摘　　要：根据分子结构的特点 ,发展了一种计算环烷烃摩尔折射度的新方法 .对 2 3 2种环烷烃的计算结果表明 ,摩尔折射度计算值十分接近实验值 ,平均误差 0 2 8%。Based on characteristics and connectivity of the groups in molecules,a new method was developed to calculate the molar refractions of cycloalkanes from molecular structure. The calculated results show that the calculated molar refraction of alkane and cycloalkane were in good agreement with the experimental data,and the arerage relative deviation was 0.28% for 232 cycloalkanes,and had advantages over the group contribution method and chemical bond contribution method.

关 键 词：结构性能关系 分子结构 基团键 基团键贡献法 摩尔折射度 环烷烃 

分 类 号：O621.2[理学—有机化学]