Correlation and prediction of solute transfer to chloroalkanes from both water and the gas phase Page: 1
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CORRELATION AND PREDICTION OF SOLUTE TRANSFER TO CHLOROALKANES
FROM BOTH WATER AND THE GAS PHASE
Laura M. Sprungera, Sai S. Achia, William E. Acree, Jr.a*, Michael H. Abrahamb, Albert J. LeoC,
and David Hoekmand
a Department of Chemistry, 1155 Union Circle Drive #305070, University of North Texas,
Denton, TX 76203-5017 (USA)
b Department of Chemistry, University College London, 20 Gordon Street,
London, WC1H 0AJ (UK)
c BioByte Corp., 201 W. Fourth St., Claremont, CA 91711 (USA)
d David Hoekman Consulting, Inc., 107 NW 82nd, Seattle, WA 97117 (USA)
Data have been compiled from the published literature on the partition coefficients of solutes and
vapors into chloroform, carbon tetrachloride, dichloromethane and 1-chlorobutane from both
water and from the gas phase. The logarithms of the water-to-chloroalkane (log P) and gas-to-
chloroalkane partition coefficients (log K) are correlated with the Abraham solvation parameter
model. The derived correlations describe the observed log P and log K values within standard
deviations of about 0.13 to 0.20 log units. For chloroform and carbon tetrachloride, the derived
correlations were validated using training set and test set analyses.
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Sprunger, Laura M.; Achi, Sai S.; Acree, William E. (William Eugene); Abraham, M. H. (Michael H.); Hoekman, David & Leo, Albert J. Correlation and prediction of solute transfer to chloroalkanes from both water and the gas phase, article, July 25, 2009; [New York, New York]. (digital.library.unt.edu/ark:/67531/metadc155630/m1/1/: accessed February 17, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.