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4938295 
Journal Article 
AQUAFAC: 1. Aqueous functional group activity coefficients; application to hydrocarbons 
Myrdal, P; Ward, GH; Dannenfelser R-M; Mishra, D; Yalkowsky, SH 
1992 
Yes 
Chemosphere
ISSN: 0045-6535
EISSN: 1879-1298 
24 
8 
1047-1061 
English 
BIOSIS COPYRIGHT: BIOL ABS. A simple group-contribution method for the estimation of aqueous activity coefficients is introduced. The AQUAFAC method derives group values directly from aqueous data. This work shows the fundamental background of how AQUAFAC group values (q-values) are generated. Group values for alkanes, polycyclic aromatic hydrocarbons and alkyl aromatics are given. It is shown that aromatic alkyl substituents contribute differently to the aqueous activity coefficient than do corresponding aliphatic alkyl substituents.