Correlation and estimation of gas-chloroform and water-chloroform partition coefficients by a linear free energy relationship method.
J Pharm Sci
; 88(7): 670-9, 1999 Jul.
Article
em En
| MEDLINE
| ID: mdl-10393564
ABSTRACT
A linear free energy relationship, LFER, has been used to correlate 150 values of gas-chloroform partition coefficients, as log Lchl with a standard deviation, sd, of 0.23 log units, a correlation coefficient r2 of 0.985, and an F-statistic of 1919. The equation reveals that bulk chloroform is dipolar/polarizable, of little hydrogen-bond basicity, but as strong a hydrogen-bond acid as bulk methanol or bulk ethanol. However, the main influence on gaseous solubility in chloroform is due to solute-solvent London dispersion interactions. A slightly modified LFER has been used to correlate 302 values of water-chloroform partition coefficients, as log Pchl. The correlation equation predicts log Pchl for a further 34 compounds not used in the equation with sd = 0.17 log units. When the LFER is applied to all 335 log Pchl values, the resulting equation has sd = 0.25, r2 = 0.971, and F = 2218.
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MEDLINE
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Solubilidade
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Clorofórmio
Idioma:
En
Revista:
J Pharm Sci
Ano de publicação:
1999
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Article