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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2018
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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 |
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author | Abraham, Michael H. Acree, William E. |
author_facet | Abraham, Michael H. Acree, William E. |
author_sort | Abraham, Michael H. |
collection | PubMed |
description | [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. |
format | Online Article Text |
id | pubmed-6641712 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-66417122019-08-27 Descriptors for Cyclooctasulfur: Estimation of Water–Solvent Partition Coefficients, Solubilities in Solvents, and Physicochemical Properties Abraham, Michael H. Acree, William E. ACS Omega [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. American Chemical Society 2018-05-21 /pmc/articles/PMC6641712/ /pubmed/31458754 http://dx.doi.org/10.1021/acsomega.8b00713 Text en Copyright © 2018 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes. |
spellingShingle | Abraham, Michael H. Acree, William E. Descriptors for Cyclooctasulfur: Estimation of Water–Solvent Partition Coefficients, Solubilities in Solvents, and Physicochemical Properties |
title | Descriptors for Cyclooctasulfur: Estimation of Water–Solvent
Partition Coefficients, Solubilities in Solvents, and Physicochemical
Properties |
title_full | Descriptors for Cyclooctasulfur: Estimation of Water–Solvent
Partition Coefficients, Solubilities in Solvents, and Physicochemical
Properties |
title_fullStr | Descriptors for Cyclooctasulfur: Estimation of Water–Solvent
Partition Coefficients, Solubilities in Solvents, and Physicochemical
Properties |
title_full_unstemmed | Descriptors for Cyclooctasulfur: Estimation of Water–Solvent
Partition Coefficients, Solubilities in Solvents, and Physicochemical
Properties |
title_short | Descriptors for Cyclooctasulfur: Estimation of Water–Solvent
Partition Coefficients, Solubilities in Solvents, and Physicochemical
Properties |
title_sort | descriptors for cyclooctasulfur: estimation of water–solvent
partition coefficients, solubilities in solvents, and physicochemical
properties |
url | 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 |
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