Literature DB >> 24290301

The solubility of liquid and solid compounds in dry octan-1-ol.

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.
Copyright © 2013 Elsevier Ltd. All rights reserved.

Entities:  

Keywords:  Abraham descriptors; Hydrogen bonding; Octan-1-ol; Solubility; Water–octanol partition coefficient

Mesh:

Substances:

Year:  2013        PMID: 24290301     DOI: 10.1016/j.chemosphere.2013.10.095

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


  1 in total

1.  Prediction of 1-octanol solubilities using data from the Open Notebook Science Challenge.

Authors:  Michael A Buonaiuto; Andrew S I D Lang
Journal:  Chem Cent J       Date:  2015-09-24       Impact factor: 4.215

  1 in total

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