Comment on "A Database of Experimentally Derived and Estimated Octanol–Air Partition Ratios (KOA)" [J. Phys. Chem. Ref. Data 50, 043101 (2021)]\Response to Comment on "A Database of Experimentally Derived and Estimated Octanol–Air Partition Ratios (KOA)" [J. Phys. Chem. Ref. Data 51, 026101 (2022)]

Baskaran et al respond to comments from Rodgers and colleagues on their article regarding a database of experimentally derived and estimated octanol-air partition ratios. They state that when compiling octanol-air partitioning coefficients in a database, they suggested that one should expect values...

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Veröffentlicht in:Journal of physical and chemical reference data 2022-06, Vol.51 (2), p.1
Hauptverfasser: Rodgers, Timothy F M, Okeme, Joseph O, Bidleman, Terry F, Baskaran, Sivani, Lei, Ying Duan, Wania, Frank
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Sprache:eng
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Zusammenfassung:Baskaran et al respond to comments from Rodgers and colleagues on their article regarding a database of experimentally derived and estimated octanol-air partition ratios. They state that when compiling octanol-air partitioning coefficients in a database, they suggested that one should expect values determined with the gas chromatographic retention time technique to be biased low when applied to organic compounds that are able to undergo hydrogen bonding with octanol. In their correspondence, Rodgers et al argued that this threshold is too low and unduly flags as potentially biased the GC-RT-derived KOA values for many compounds with an aA+bB above 0.5.
ISSN:0047-2689
1529-7845
DOI:10.1063/5.0085956