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Descriptors for the Prediction of Partition Coefficients and Solubilities of Organophosphorus Compounds

Abraham, MH; Acree, WE; (2013) Descriptors for the Prediction of Partition Coefficients and Solubilities of Organophosphorus Compounds. Separation Science and Technology , 48 (6) 884 - 897. 10.1080/01496395.2012.721043. Green open access

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Abstract

From literature data on partition coefficients and in some cases solubilities in nonaqueous solvents we have been able to determine Abraham descriptors for several series of organophosphorus compounds including the dialkyl- and diaryl-phosphates (dialkylphosphoric acids), trialkyl- and triphenyl-phosphates, dialkylphosphinic acids and diphenylphosphinic acid, trialkyl- and triaryl-phosphine oxides, and dialkylphosphites and triarylphosphines. Other organophosphorus compounds studied were dimethyl methylphosphonate and the flame retardant PBMP. For all these compounds, knowledge of the Abraham descriptors enables partition coefficients to be predicted for transfer from water to over 40 (wet) solvents. If the solubility of a given compound in just one dry solvent (out of a list of 47 dry solvents) is available, then the solubility in all the other listed dry solvents can be predicted through very simple equations.

Type: Article
Title: Descriptors for the Prediction of Partition Coefficients and Solubilities of Organophosphorus Compounds
Open access status: An open access version is available from UCL Discovery
DOI: 10.1080/01496395.2012.721043
Publisher version: http://dx.doi.org/10.1080/01496395.2012.721043
Language: English
Additional information: Copyright Michael H. Abraham and William E. Acree, Jr. This is an open-access article distributed under the terms of the Creative Commons Attribution License http://creativecommons.org/licenses/by/3.0/, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. The moral rights of the named author(s) have been asserted. Permission is granted subject to the terms of the License under which the work was published. Please check the License conditions for the work which you wish to reuse. Full and appropriate attribution must be given. This permission does not cover any third party copyrighted material which may appear in the work requested.
Keywords: linear free energy relationship,organophosphorus extractants, partition coefficients, olubilities
UCL classification: UCL
UCL > Provost and Vice Provost Offices
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/1457388
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