脂肪醚物理化学性质的定量探讨

Quantitative Inquisition of the Physicochemical Properties of Fatty Ether

拓扑指数ｘｚ、路径数ｐ１和ｓ１、ｓ２等参量，是表征脂肪醚分子大小、支化度、形状和氧原子位置等结构特征的重要参量．本文提出计算脂肪醚物理化学性质Ｐ的定量公式Ｐ＝ａ０＋ａ１ｐ１＋ａ２ｘ２／３ｚ＋ａ３ｓ１＋ａ４ｓ２，预测了１０个碳原子以内的脂肪醚的Ｒｍ（ｃｍ３·ｍｏｌ－１）、Ｂ．Ｐ．（℃）、ｍ．ｐ．（℃）、ΔＨａ（ｋＪ·ｍｏｌ－１）。

The topological index z x ,numbers of path p, measures s 1 and s 2 can be used to characterize the size,branching and shape of fatty ether,and the site of oxy atom in ether.With this,a quatitative formula for calculating physicochemical properties p of fatty ether is obtained,i.e. p=a 0+a 1p 1+a 2x 2/3 z+a 3s 1+a 4s 2 Hence we can predict six physicochemical properties of fatty ether.It is demonstrated that the method possesses the advantage of easy computation and clear structural significance.The results are also satistactory.