分子摩尔质量与链烷烃物理化学性质的相关性研究

用M,M，P，q，n等分子参数表征链烷烃的分子大小、取代参量和相邻取代基的相互作用，并以其为独立变量，通过回归方法建立模型预测链烷烃的某些物理化学性质,85种链烷烃的沸点、标准生成焓、标准熵、标准自由能以及1-9个碳原子链烷烃的气化焓、摩尔体积、摩尔折光度的预测表明该模型的原理简单、方法实用．为预测链烷烃物理化学性质提供了可靠的手段。

A study of correlation between the physical-chemical properties and molecular molar mass of alkanes

Molecular parameters of alkanes(M, M', P, q, and n)can be used to characterize the size, the substitute parameters and the effect of neighboring substituent. According to M, M', P, q, and n using as separate parameters, some physical-chemical properties of alkanes were predicted by regression method. Predicting values of boiling points, thermodynamic properties such as the standard enthalpies of formation, the standard entropies, the standard free energies of formation, and vaporization enthalpies, molar volume, molar refrangibility are excellently consistent with the literature ones for alkanes. The results show that the model has the advantages of simple principles, method practicality, and it provides a reliable means for predicting physical-chemical properties of alkanes.