Intermolecular Interactions, Solute Descriptors, and Partition Properties of Neutral Per- and Polyfluoroalkyl Substances (PFAS).

ABSTRACT: The environmental partition properties of perfluoroalkyl and polyfluoroalkyl substances (PFAS) must be understood for their transport and fate analysis. In this study, isothermal gas chromatographic (GC) retention times of 60 neutral PFAS were measured using four columns with different stationary phase polarities, which indicated varying polar interactions exerted by these substances. The GC data were combined with new octanol/water partition coefficient data from this study and existing partition coefficient data from the literature and used to determine the polyparameter linear free energy relationship (PP-LFER) solute descriptors. A complete set of the solute descriptors was obtained for 47 PFAS, demonstrating the characteristic intermolecular interaction properties, such as hydrogen bo

SUBMITTER: Endo S 

PROVIDER: S-EPMC10653080 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature