Descriptors for Pentane-2,4-dione and Its Derivatives

We have used equations for partition coefficients of compounds from water and the gas phase to various solvents to obtain descriptors for pentane-2,4-dione and 21 of its derivatives. These descriptors can then be used to estimate further partition coefficients into a wide variety of solvents. The de...

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Autores principales: Abraham, Michael H., Acree, William E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5579141/
https://www.ncbi.nlm.nih.gov/pubmed/28931958
http://dx.doi.org/10.1007/s10953-017-0667-y
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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 We have used equations for partition coefficients of compounds from water and the gas phase to various solvents to obtain descriptors for pentane-2,4-dione and 21 of its derivatives. These descriptors can then be used to estimate further partition coefficients into a wide variety of solvents. The descriptors also yield information about the properties of pentane-2,4-dione and its derivatives. Pentane-2,4-dione and its alkyl derivatives are quite polar, with substantial hydrogen bond basicity but with no hydrogen bond acidity. In contrast 1,1,1-trifluoropentane-2,4-dione and hexafluoropentan-2,4-dione have significant hydrogen bond acidities.
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spelling pubmed-55791412017-09-18 Descriptors for Pentane-2,4-dione and Its Derivatives Abraham, Michael H. Acree, William E. J Solution Chem Article We have used equations for partition coefficients of compounds from water and the gas phase to various solvents to obtain descriptors for pentane-2,4-dione and 21 of its derivatives. These descriptors can then be used to estimate further partition coefficients into a wide variety of solvents. The descriptors also yield information about the properties of pentane-2,4-dione and its derivatives. Pentane-2,4-dione and its alkyl derivatives are quite polar, with substantial hydrogen bond basicity but with no hydrogen bond acidity. In contrast 1,1,1-trifluoropentane-2,4-dione and hexafluoropentan-2,4-dione have significant hydrogen bond acidities. Springer US 2017-08-19 2017 /pmc/articles/PMC5579141/ /pubmed/28931958 http://dx.doi.org/10.1007/s10953-017-0667-y Text en © The Author(s) 2017 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.
spellingShingle Article
Abraham, Michael H.
Acree, William E.
Descriptors for Pentane-2,4-dione and Its Derivatives
title Descriptors for Pentane-2,4-dione and Its Derivatives
title_full Descriptors for Pentane-2,4-dione and Its Derivatives
title_fullStr Descriptors for Pentane-2,4-dione and Its Derivatives
title_full_unstemmed Descriptors for Pentane-2,4-dione and Its Derivatives
title_short Descriptors for Pentane-2,4-dione and Its Derivatives
title_sort descriptors for pentane-2,4-dione and its derivatives
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5579141/
https://www.ncbi.nlm.nih.gov/pubmed/28931958
http://dx.doi.org/10.1007/s10953-017-0667-y
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