| Literature DB >> 24290301 |
Michael H Abraham1, William E Acree2.
Abstract
Using literature data on solubilities, equations have been constructed for the correlation of solubilities of liquids and solids in dry octanol, as log Soct (M). The best equation statistically uses Abraham descriptors together with the compound melting point. For 282 compounds the equation standard deviation is no more than 0.47 log units. If the melting point term is omitted the standard deviation rises to 0.63 log units. It is suggested that if Abraham descriptors are available, these equations represent the most satisfactory equations for the correlation and estimation of solubilities in dry octanol. If these descriptors are not available, then the simple equation of Yalkowsky can be used, although for 223 compounds the equation standard deviation rises to 0.71 log units.Entities:
Keywords: Abraham descriptors; Hydrogen bonding; Octan-1-ol; Solubility; Water–octanol partition coefficient
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Year: 2013 PMID: 24290301 DOI: 10.1016/j.chemosphere.2013.10.095
Source DB: PubMed Journal: Chemosphere ISSN: 0045-6535 Impact factor: 7.086