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Measurement of n-Alcohol/Water Partition Coefficients for Nonionic Perfluorocarbons
Citation:
Shonrock, T. AND L. Burkhard. Measurement of n-Alcohol/Water Partition Coefficients for Nonionic Perfluorocarbons. SETAC North America 42nd Annual meeting, Portland, OR, November 14 - 18, 2021. https://doi.org/10.23645/epacomptox.17105786
Impact/Purpose:
Poster presented to the SETAC North America 42nd Annual meeting November 2021. We are in the process of measuring n-octanol/water partition coefficients for few nonionic perfluorinated organic chemicals. Measurements for fluorinated organics are lacking and these measurements fill the data gap for nonpolar/nonionic organic chemicals.
Description:
Per- and poly-fluorinated compounds (PFAS) are a group of chemicals created by humans, that have become a growing concern in the environment. To predict and model the movement of PFAS chemicals through the environment, partition coefficients such as n-octanol-water (KOW), organic carbon-water (KOC), and Henry’s law constants (H) are needed. Measurements for KOW are limited for PFASs and using the OECD-123 Slow Stir method, we have measured the log KOWs of perfluoronaphthalene (3.52 sd=0.01, n=2) and perfluorobiphenyl (4.59 sd=0.023, n=4). Measurements are underway on three aliphatic fluorocarbons perfluorodecalin, perfluoroctane, and perfluorodecane. The measured KOWs will be compared to predictions from a variety of predictive methods including EPISuite, OPERA, ACD, and Chemaxon. n-Butanol/water partition coefficients (KBW) are also being measured to determine if the KOW-KBW pairs reside on the linear free energy relationship between these partition coefficients developed using non-fluorinated organic chemicals.
URLs/Downloads:
DOI: Measurement of n-Alcohol/Water Partition Coefficients for Nonionic Perfluorocarbons
SHONROCK-BURKHARD-SETAC-FINAL_TDTS_LPB.PDF (PDF, NA pp, 538.598 KB, about PDF)