不饱和链烃的沸点与分子结构之间定量关系的研究  

Studies on the quantitative relation between boiling point of aliphatic unsaturated hydrocarbons and molecular structure

作　　者：王克强[1] 王捷[2] 

机构地区：[1]洛阳师范学院化学系,河南洛阳471022 [2]许昌职业技术学院,河南许昌461000

出　　处：《商丘师范学院学报》2002年第5期88-91,共4页Journal of Shangqiu Normal University

摘　　要：根据分子中基团的特性和连接性,通过用距离矩阵和顶点矩阵表征基团的特性和连接性,发展了一种直接根据分子结构计算不饱和烃（包括烯烃、炔烃和烯炔混合烃）沸点的方法,对378种不饱和烃（C2～C40）的计算结果表明,沸点计算值与实验值的一致性令人满意.Based on characteristics of molecular structure, the distance matrix and vertical matrix were used to characterize the connectivity of the groups in aliphatic unsaturated hydrocarbons, and a method was proposed to calculate the boiling points of. The calculated results showed that the calculated boiling points were in good a-greement with the experimental data, the mean relative deviation was 1.30% for 378 aliphatic unsaturated hydrocarbons.

关 键 词：不饱和链烃 沸点 分子结构 定量关系 结构性能关系 拓扑指数 距离矩阵 顶点矩阵 

分 类 号：O623.12[理学—有机化学] O621.2[理学—化学]