Revised linear solvation energy relationship coefficients for the 77-phaseMcReynolds data set based on an updated set of solute descriptors

Citation
Mh. Abraham et al., Revised linear solvation energy relationship coefficients for the 77-phaseMcReynolds data set based on an updated set of solute descriptors, J CHROMAT A, 878(1), 2000, pp. 115-124
Citations number
21
Categorie Soggetti
Chemistry & Analysis","Spectroscopy /Instrumentation/Analytical Sciences
Journal title
Volume
878
Issue
1
Year of publication
2000
Pages
115 - 124
Database
ISI
SICI code
Abstract
Linear solvation energy relationship (LSER) coefficients for the 77-phase M cReynolds data set have been recalculated using updated solute descriptors in the revised solvation equation: log SP = c(1) + r(1)R(2) + s(1)pi(2)(H) + a(1)Sigma alpha(2)(H) + b(1)Sigma beta(2)(H) + l(1) logL(16) These revised LSER coefficients are presented and classified by cluster ana lysis into groupings of stationary phases which have comparable solubility properties. It was found that the groupings were similar to those proposed by Abraham using the original solvation equation and that any dissimilariti es were readily explainable by the grouping methods that were applied. Comp arison of the original coefficients with the revised set also shows that se veral stationary phases which had a statistically insignificant b(1) value with the original equation now have significant b(1) values when utilizing the revised solvation equation. Published by Elsevier Science B.V.