摘要
路径数ｐ１和拓朴指数Ｘz，Ｓ１，Ｓ２是表征脂肪炔烃分子大小、支化度、形状和叁键位 置等结构特征的重要参量。本文提出计算脂肪炔烃沸点Ｔ（Ｋ）的定量公式为：Ｔ＝ａ０＋ａ１ｐ１＋ａ２Ｘ＾２／３Ｚ＋ａ３Ｓ１＋ａ４Ｓ２式中ａ０，ａ１，ａ２，ａ３和ａ４为系数，分别为２２４．４６４１，５．８９７７，３０．３９７９，－６８．００３４，－１１．０７４５，应用该式预测了含１４个碳原子以内的脂肪炔烃的沸点。
Number of path p1, the topological indexes Xz,S1 and S2can be used to characterize the size, branching and share of alkynes,and site of threefold bond in alkyne. With this, a quatitative formula for calculating the boiling points of alkynes is obtained, i. e. T = a0 + a1p1 + a_2x_z2/3 + a3S1 + a4S2 It is demonstrated that the method possesses the advantage of easy computation and clear structural significance. The results are also satisfactory.
出处
《西南民族学院学报（自然科学版）》
CAS
1999年第4期382-385,共4页
Journal of Southwest Nationalities College(Natural Science Edition)
关键词
拓扑指数
路径数
分子连接性
炔烃
沸点
topological index
number of paths
molecular connectivity and structure properties
alkyne
boiling points
