![]() This study prioritizes the PXAs on the basis of their potential to persist, bioaccumulate, and undergo long-range transport guided by quantitative structure–property relationships (QSPRs), density functional theory (DFT), chemical fate models, and partitioning space. They represent only a small fraction of the 184,600 elemental compositions (C 10–25) and the myriad isomers of all possible (mixed) halogenated n-alkanes (PXAs). ![]() ![]() Short-chain polychlorinated n-alkanes are ubiquitous industrial chemicals widely recognized as persistent organic pollutants. ![]()
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