Issue 8, 2009
From the journal:

New Journal of Chemistry

Partition of compounds from water and from air into the wet and dry monohalobenzenes†

Michael H. Abraham,*a   William E. Acree, Jr.,b   Albert J. Leoc  and  David Hoekmand  

* Corresponding authors

a Department of Chemistry, University College London, 20 Gordon Street, London, UK
E-mail: m.h.abraham@ucl.ac.uk

b Department of Chemistry, University of North Texas, 1155 Union Circle Drive #305070, Denton, USA
E-mail: acree@unt.edu

c BioByte Corp., 201 W. Fourth St., Claremont, USA
E-mail: aleo@biobyte.com

d David Hoekman Consulting, Inc., 107 NW 82nd, Seattle, USA
E-mail: dhoekman@gmail.com

Abstract

Values of the partition coefficient from the gas phase (Ks) and from water (Ps) to the monohalobenzene solvents have been collected for fluorobenzene (21 solutes), chlorobenzene (212 solutes), bromobenzene (126 solutes) and iodobenzene (65 solutes). It is shown that for the wide range of solutes studied, partitions into the dry and wet (water-saturated) solvents are essentially the same, and that equations can be constructed that include data on both dry and wet solvents. Using the Abraham equations, that contain a maximum of five descriptors, statistically satisfactory equations are obtained for log Ks and log Ps with estimated predictive standard deviations of around 0.20 log units. The coefficients in the Abraham equations for the four halobenzene solvents are surprisingly similar and except for the s-coefficient, which reflects the solvent dipolarity/polarisability, are also similar to the coefficients for partition into toluene.

Graphical abstract: Partition of compounds from water and from air into the wet and dry monohalobenzenes

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Article information

DOI
https://doi.org/10.1039/B823403E
Article type
Paper
Submitted
05 Jan 2009
Accepted
16 Mar 2009
First published
21 Apr 2009

New J. Chem., 2009,33, 1685-1692

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Partition of compounds from water and from air into the wet and dry monohalobenzenes

M. H. Abraham, W. E. Acree, Jr., A. J. Leo and D. Hoekman, New J. Chem., 2009, 33, 1685 DOI: 10.1039/B823403E

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