QSPR models for the critical temperatures, critical volumes, and critical pressures of binary organic mixtures are given. The binary organic mixtures have been described in terms of the mixture modification of simplex representation of molecular structure. The accuracy of the obtained models is comparable to the recommended one, the mean error ranging from 6.8 to 14.6%. The models imply that electronic polarizability is the most important factor for the critical volume and that the critical temperature and critical pressure are determined primarily by van der Waals and electrostatic interactions.

中文翻译：

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有机二元混合物关键特性的QSPR建模

给出了二元有机混合物的临界温度，临界体积和临界压力的QSPR模型。已经根据分子结构的单纯形表示的混合物修饰描述了二元有机混合物。所获得模型的准确性与推荐模型相当，平均误差范围为6.8至14.6％。这些模型表明，电子极化率是决定临界体积的最重要因素，并且临界温度和临界压力主要由范德华力和静电相互作用决定。