title: 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.
abstract: 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.
authors.affiliation: Department of Environmental Chemistry and Ecotoxicology, University of Gdańsk, Poland.
authors.forename: Tomasz
authors.initials: T
authors.lastname: Puzyn
authors.forename: Jerzy
authors.initials: J
authors.lastname: Falandysz
mesh_terms: D055598:Chemical Phenomena; D002627:Chemistry, Physical; D017606:Chlorine Compounds / Q000737:chemistry*; D004785:Environmental Pollutants; D005544:Forecasting; D008962:Models, Theoretical; D011721:Pyrenes / Q000737:chemistry*; D013696:Temperature; D014835:Volatilization
chemical_list: D017606:Chlorine Compounds; D004785:Environmental Pollutants; D011721:Pyrenes