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Descriptors for Cyclooctasulfur: Estimation of Water–Solvent Partition Coefficients, Solubilities in Solvents, and Physicochemical Properties

[Image: see text] 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...

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Detalles Bibliográficos
Autores principales: Abraham, Michael H., Acree, William E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641712/
https://www.ncbi.nlm.nih.gov/pubmed/31458754
http://dx.doi.org/10.1021/acsomega.8b00713
Descripción
Sumario:[Image: see text] 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.