A comparison of AQUAFAC group q-values to their corresponding CLOGP f-values

Yung Chi Lee; Sirirat Pinsuwan; Samuel H. Yalkowsky

doi:10.1016/S0045-6535(97)00198-7

A comparison of AQUAFAC group q-values to their corresponding CLOGP f-values

Yung Chi Lee
, Sirirat Pinsuwan
, Samuel H. Yalkowsky

Pharmacology and Toxicology

Research output: Contribution to journal › Article › peer-review

4 Scopus citations

Abstract

Previous studies have shown that AQUAFAC is more accurate than the general solubility equation for the estimation of aqueous solubility. The relationship between AQUAFAC group q-values and their corresponding 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.

Original language	English (US)
Pages (from-to)	775-782
Number of pages	8
Journal	Chemosphere
Volume	35
Issue number	4
DOIs	https://doi.org/10.1016/S0045-6535(97)00198-7
State	Published - Aug 1997

ASJC Scopus subject areas

Environmental Engineering
General Chemistry
Environmental Chemistry
Pollution
Public Health, Environmental and Occupational Health
Health, Toxicology and Mutagenesis

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10.1016/S0045-6535(97)00198-7

Cite this

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title = "A comparison of AQUAFAC group q-values to their corresponding CLOGP f-values",

abstract = "Previous studies have shown that AQUAFAC is more accurate than the general solubility equation for the estimation of aqueous solubility. The relationship between AQUAFAC group q-values and their corresponding 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.",

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AU - Yalkowsky, Samuel H.

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N2 - Previous studies have shown that AQUAFAC is more accurate than the general solubility equation for the estimation of aqueous solubility. The relationship between AQUAFAC group q-values and their corresponding 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.

AB - Previous studies have shown that AQUAFAC is more accurate than the general solubility equation for the estimation of aqueous solubility. The relationship between AQUAFAC group q-values and their corresponding 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.

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UR - https://www.scopus.com/pages/publications/0030759733#tab=citedBy

U2 - 10.1016/S0045-6535(97)00198-7

DO - 10.1016/S0045-6535(97)00198-7

M3 - Article

AN - SCOPUS:0030759733

SN - 0045-6535

VL - 35

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EP - 782

JO - Chemosphere

JF - Chemosphere

IS - 4

ER -

A comparison of AQUAFAC group q-values to their corresponding CLOGP f-values

Abstract

ASJC Scopus subject areas

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