Abraham Michael H, Acree William E
Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, U.K.
Department of Chemistry, University of North Texas, 1155 Union Circle Drive #305070, Denton, Texas 76203-5017, United States.
ACS Omega. 2018 May 21;3(5):5516-5521. doi: 10.1021/acsomega.8b00713. eCollection 2018 May 31.
We have used literature data on the solubility of cyclooctasulfur in a number of solvents to drive Abraham descriptors for cyclooctasulfur. These can then be used in linear free-energy relationships that we have already constructed to predict partition coefficients and solubilities in a very large number of additional solvents. Cyclooctasulfur is very hydrophobic, has zero hydrogen bond acidity and zero hydrogen bond basicity, and dissolves best in nonpolar or only moderately polar solvents. We have also obtained enthalpies of solvation of cyclooctasulfur in solvents; again our linear free-energy relationships can be used to predict enthalpies of solvation in further solvents.
我们利用环辛硫醚在多种溶剂中的溶解度的文献数据来推导环辛硫醚的亚伯拉罕描述符。然后，这些描述符可用于我们已经构建的线性自由能关系中，以预测其在大量其他溶剂中的分配系数和溶解度。环辛硫醚具有很强的疏水性，氢键酸度和氢键碱度均为零，在非极性或仅中等极性的溶剂中溶解性最佳。我们还获得了环辛硫醚在溶剂中的溶剂化焓；同样，我们的线性自由能关系可用于预测其在其他溶剂中的溶剂化焓。
