Literature DB >> 27038899

Equations for water-triolein partition coefficients for neutral species; comparison with other water-solvent partitions, and environmental and toxicological processes.

Michael H Abraham1, William E Acree2.   

Abstract

Linear free energy relationships, LFERs, have been constructed for water-triolein partition coefficients for neutral species. It is shown that separate equations are required for wet and dry triolein. From a comparison of the equation coefficients for water-wet triolein with those for 52 other water-solvent systems it is shown that there is little correspondence between triolein and any of the 52 other solvents - only the water-isopropyl myristate system is close to the water-wet triolen system. A comparison of equation coefficients for the water-wet triolein system with LFER coefficients of 16 environmentally important processes shows that wet triolein is not a suitable model for any of the processes, although a number of other water-solvent systems are possible models for some of the environmental processes. A comparison of LFER coefficients with those of 17 aqueous toxicological processes reveals that most of the water-solvent systems, including water-wet triolein, will be poor models for any of the toxicological systems, but the water-lower alcohol systems show promise as models for a number of the toxicological systems. Our method of comparison of coefficients for LFERs that have exactly the same independent variables can be extended to various other types of system.
Copyright © 2016 Elsevier Ltd. All rights reserved.

Entities:  

Keywords:  Compound descriptors; Linear free energy relationship; Partition coefficients; Triolein

Mesh:

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Year:  2016        PMID: 27038899     DOI: 10.1016/j.chemosphere.2016.03.086

Source DB:  PubMed          Journal:  Chemosphere        ISSN: 0045-6535            Impact factor:   7.086


  1 in total

1.  Partition of Neutral Molecules and Ions from Water to o-Nitrophenyl Octyl Ether and of Neutral Molecules from the Gas Phase to o-Nitrophenyl Octyl Ether.

Authors:  Michael H Abraham; William E Acree; Xiangli Liu
Journal:  J Solution Chem       Date:  2018-02-16       Impact factor: 1.677

  1 in total

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