Abraham, MH;
Acree, WE;
(2017)
Descriptors for Pentane-2,4-dione and Its Derivatives.
Journal of Solution Chemistry
, 46
(8)
pp. 1625-1638.
10.1007/s10953-017-0667-y.
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Abstract
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.
| Type: | Article |
|---|---|
| Title: | Descriptors for Pentane-2,4-dione and Its Derivatives |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1007/s10953-017-0667-y |
| Publisher version: | https://doi.org/10.1007/s10953-017-0667-y |
| Language: | English |
| Additional information: | Copyright © The Author(s) 2017. Open Access: This 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. |
| Keywords: | Pentane-2,4-dione, Partition coefficients, Absolv descriptors, Acetylacetone, Linear free energy relationships |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10041643 |
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