拓扑指数与对饱和脂肪酯物理化学性质的预测

Topological Index and Predicting Physicochemical Properties of Saturated Fatty Ester

本文采用改进的分子连接性指数1x ,建立了饱和脂肪酯物理化学性质p的定量公式 :P =a +b1x ,式中a ,b是系数 ,对于某一物理化学性质为一定值。本文预测了含 12个碳原子以内的饱和脂肪酯的水溶解度、分配系数、保留体积、沸点和相对密度等五项物理化学性质。

The topological index 1x Can be used to cheractenze the size, branching and shape of saturated fatty ester. With this, a quantitative formula for calculating physicochemical properties p of saturated fatty ester is obtained, i.e. p=a+b 1x, Where a and b are coefficient, and constant for the physicochemical property. Hence We Can take this formula to predict five physicochemical properties of Saturated fatty eseer, including density, coefficient of diseribution, b.p.(℃), solubitity in Water and residence Voluml.