Abstract: The so-called group solubility parameters based on the cell theory of solution were proposed. The parameters were applied to the estimation of vaporization enthalpy (ΔH°v,298) of organic compounds, The results showed that the accuracy of estimated ΔH°v.298 with the present method was better than those with the previous group contribution methods. Especially, the present method was applied successfully to the estimation of ΔH°v,298 for the organic compounds with more than one functional group.

摘要： 为了使基团参数具有一值多用的性质,本文根据溶液的晶格理论,定义了基团溶解度参数,并利用该参数对有机物的汽化热进行了估算.结果表明,本文的方法在汽化热的估算精度上比现有的基团加和法在多数情况下有所提高.特别是,利用本文的方法还可以比较准确地估算多官能团有机物的汽化热.