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

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-pho...

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Autores principales: Abraham, Michael H., Acree, William E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Taylor & Francis 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4131267/
https://www.ncbi.nlm.nih.gov/pubmed/25170182
http://dx.doi.org/10.1080/01496395.2012.721043
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author Abraham, Michael H.
Acree, William E.
author_facet Abraham, Michael H.
Acree, William E.
author_sort Abraham, Michael H.
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description 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.
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spelling pubmed-41312672014-08-26 Descriptors for the Prediction of Partition Coefficients and Solubilities of Organophosphorus Compounds Abraham, Michael H. Acree, William E. Sep Sci Technol Research Article 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. Taylor & Francis 2013-03-14 2013-02 /pmc/articles/PMC4131267/ /pubmed/25170182 http://dx.doi.org/10.1080/01496395.2012.721043 Text en Copyright © Taylor & Francis Group, LLC http://www.informaworld.com/mpp/uploads/iopenaccess_tcs.pdf This is an open access article distributed under the Supplemental Terms and Conditions for iOpenAccess articles published in Taylor & Francis journals (http://www.informaworld.com/mpp/uploads/iopenaccess_tcs.pdf) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Research Article
Abraham, Michael H.
Acree, William E.
Descriptors for the Prediction of Partition Coefficients and Solubilities of Organophosphorus Compounds
title Descriptors for the Prediction of Partition Coefficients and Solubilities of Organophosphorus Compounds
title_full Descriptors for the Prediction of Partition Coefficients and Solubilities of Organophosphorus Compounds
title_fullStr Descriptors for the Prediction of Partition Coefficients and Solubilities of Organophosphorus Compounds
title_full_unstemmed Descriptors for the Prediction of Partition Coefficients and Solubilities of Organophosphorus Compounds
title_short Descriptors for the Prediction of Partition Coefficients and Solubilities of Organophosphorus Compounds
title_sort descriptors for the prediction of partition coefficients and solubilities of organophosphorus compounds
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4131267/
https://www.ncbi.nlm.nih.gov/pubmed/25170182
http://dx.doi.org/10.1080/01496395.2012.721043
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