Environmental property modeling of perfluorodecalin and its implications for environmental fate and hazards

Abstract

In a variety of medical and industrial uses, small amounts of perfluorodecalin (C 10F 18) may have been released into the environment. However, it may significantly contribute to the global warming due to its highly radiative efficiency and global warming potential (GWP). Using the chemical similarity approach, this article aimed at calculating the fate properties and discussing the environmental implications of the perfluorinated compound for the purpose of mitigating its emissions. The environmental fate properties of perfluorodecalin, including octanol-water partition coefficient, water solubility and Henry's law constant, were first estimated in the present study. These predicted values were further compared with those of other chemically similar compounds such as naphthalene, decalin and decane. From the computational findings, perfluorodecalin, which has exceptionally low solubility in water and high vaporization from the water bodies, tends to be hydrophobic and partitioned into organic matter, suggesting that it will sink into the atmosphere. Also addressed in the paper was a possible proposal for forming trifluoroacetic acid in the atmosphere by the ionized photolysis of perfluorodecalin. © Taiwan Association for Aerosol Research.