Computational approaches may underestimate pKa values of longer-chain perfluorinated carboxylic acids: Implications for assessing environmental and biological effects

Journal of Environmental Science and Health - Part A Toxic/Hazardous Substances and Environmental Engineering

Volumn 44, Issue 4, 2009, Pages 317-326

  Rayne, Sierra ^a   Forest, Kaya ^b   Friesen, Ken J ^a  

^a UNIVERSITY OF WINNIPEG   (Canada)

^b OKANAGAN UNIVERSITY COLLEGE   (Canada)

Author keywords

Acidity constants; Computational methods; Environmental partitioning; Perfluorinated carboxylic acids; Perfluorinated compounds; Physicochemical properties; PKa values

Indexed keywords

ACIDITY CONSTANTS; ENVIRONMENTAL PARTITIONING; PERFLUORINATED CARBOXYLIC ACIDS; PERFLUORINATED COMPOUNDS; PHYSICOCHEMICAL PROPERTIES; PKA VALUES;

CARBOXYLATION; CARBOXYLIC ACIDS; INDUSTRIAL WASTE TREATMENT; ISOMERS; ORGANIC ACIDS;

COMPUTATIONAL METHODS;

CARBOXYLIC ACIDS; ENVIRONMENTAL POLLUTANTS; FLUOROCARBONS;

EID: 61649114031     PISSN: 10934529     EISSN: 15324117     Source Type: Journal    
DOI: 10.1080/10934520802659620     Document Type: Article

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