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溶剂介质对溶解度的影响。V:乙醇-水和乙醇-环己烷混合物中二元取代苯衍生物自由能变化的焓和熵贡献

Effects of solvent medium on solubility. V: Enthalpic and entropic contributions to the free energy changes of di-substituted benzene derivatives in ethanol:water and ethanol:cyclohexane mixtures.

作者信息

Manzo R H, Ahumada A A

机构信息

Departamento de Farmacia, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Argentina.

出版信息

J Pharm Sci. 1990 Dec;79(12):1109-15. doi: 10.1002/jps.2600791214.

Abstract

The solubility at four different temperatures in water, cyclohexane, and mixtures of water and ethanol and ethanol and cyclohexane of nine derivatives of the structure pX1-C6H4-X2, together with their heats of fusion are reported. The enthalpy and entropy of mixing (delta HM and delta SM, respectively), and also the excess free energy (delta GE) for pure solvents and several compositions of solvent mixtures were calculated. The enthalpic and entropic contribution to the free energy of transfer for water:solvent mixtures was also calculated for each compound. Solvent systems may be classified by means of the enthalpic-entropic relationships exhibited by the series in each case.

摘要

报道了结构为pX1-C6H4-X2的九种衍生物在水、环己烷以及水与乙醇、乙醇与环己烷的混合物中四个不同温度下的溶解度,以及它们的熔化热。计算了纯溶剂和几种溶剂混合物组成的混合焓和混合熵(分别为ΔHM和ΔSM),以及过量自由能(ΔGE)。还计算了每种化合物在水:溶剂混合物中转移自由能的焓贡献和熵贡献。溶剂体系可根据每种情况下该系列所呈现的焓 - 熵关系进行分类。

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