分子拓扑指数估算酯的沸点  

Estimated the Boiling Points of Ester with the Molecule Topological Index

作　　者：叶川[1] 张丽[1] 牟新利[2] 徐小龙[1] 彭琴[1] 赵倩倩[1] 

机构地区：[1]重庆三峡学院化学与环境工程系 [2]重庆市市级化学化工教学示范中心,重庆万州404000

出　　处：《内蒙古石油化工》2009年第21期14-15,共2页Inner Mongolia Petrochemical Industry

摘　　要：基于分子结构的拓扑指数Am1,Am2,Am3,与15种饱和酯类化合物的沸点相关联,采用MATLAB软件进行多元线性回归拟合得回归方程为:Yc=-62.3575+15.1400Am1-2.0598Am2-0.8616Am3。利用多元线性回归方程显著性检验,结果表明相关系数呈正态分布,其R=0.9909。Associated the molecular structure of the topological index Am1,Am2,Am3 with the boiling point of 15 kinds of saturated esters,used MATLAB software for the multivariate linear regression fitting to regression equations: Yc =-62.3575+15.1400Am1-2.0598Am2-0.8616Am3.The use of multiple linear regression equation test of significance,the result shows that the correlation coefficient was normal distribution,the correlation coefficient R is 0.9909.

关 键 词：拓扑指数 酯类 沸点 

分 类 号：O621.24[理学—有机化学]