The widespread use of perfluoro/polyfluoroalkyl compounds (PFACs) makes it inevitable for them to be released into and affect the environment, and the octanol-water partition coefficient (logK) is a key indicator for evaluating the environmental behavior of trace pollutants and their impact on the environment. However, the determination of logK using experimental means is often time-consuming and laborious, or even unattainable. Therefore, the logKow of 20 per/polyfluoroalkyl compounds obtained from the PubChem database was selected as the object of study, and the 41 chemical descriptors required for modeling were obtained by density-functional theory calculations, and it was found that only two molecular descriptors (A, V) were significantly correlated with the logK, with the correlation of the descriptor A being the was the strongest.
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