A COMPARISON OF AQUAFAC GROUP Q-VALUES TO THEIR CORRESPONDING CLOGP F-VALUES

Authors
LEE YC PINSUWAN S YALKOWSKY SH
Citation
Yc. Lee et al., A COMPARISON OF AQUAFAC GROUP Q-VALUES TO THEIR CORRESPONDING CLOGP F-VALUES, Chemosphere, 35(4), 1997, pp. 775-782
Citations number
18
Categorie Soggetti
Environmental Sciences
Journal title
Chemosphere → ACNP
ISSN journal
00456535
Volume
35
Issue
4
Year of publication
1997
Pages
775 - 782
Database
ISI
SICI code
0045-6535(1997)35:4<775:ACOAGQ>2.0.ZU;2-2
Abstract
Previous studies(1,2) have shown that AQUAFAC is more accurate than th e general solubility equation for the estimation of aqueous solubility . The relationship between AQUAFAC group q-values and their correspond ing CLOGP f-values is investigated in this study. The q- and f-values are comparable in magnitude for hydrocarbon and halocarbon groups but not for hydrogen bonding groups. (C) 1997 Elsevier Science Ltd.