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
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.