Prediction of log K_(OA), T_C, and log P_L for 281 Chlorosubstituted Pyrenes as the Key Parameters Featuring Environmental Transport and Fate of These Compounds

摘要

Polychlorinated pyrenes (PCPYs) are relatively less studied hazardous substances, which recently were identified and qualified in the environment as persistent contaminants. Within this study the "key" physico-chemical parameters, like logarithm of n-octanol/air partition coefficient (log K_(OA)), temperature of condensation (T_C), and logarithm of vapor pressure of the subcooled liquid (log P_L), which characterize environmental behavior of persistent organic micropollutants, were predicted. Monochloro- and dichloropyrenes may be classified as relatively low mobile POPs, while the higher chlorinated congeners are definitely low mobile compounds under real environmental conditions.