Physicochemical properties of polycyclic aromatic hydrocarbons: Aqueous solubilities, n‐octanol/water partition coefficients, and Henry's law constants

Abstract

Aqueous solubilities, n-octanol/water partition coefficients (K ow s), and Henry's law constants were determined for a range of polycyclic aromatic hydrocarbons (PAHs) using a generator-column, slow-stirring, and gas-purge method, respectively. The currently obtained data were compared to available literature data. For seven of the PAHs no K ow s previously were determined with the slow-stirring method. For four of the PAHs the present study reports the first experimental Henry's law constants. Relationships between subcooled liquid solubilities, K ow s, and Henry's law constants as a function of molar volume are discussed. A consistent data set was obtained, for which an excellent correlation was found between subcooled liquid solubility and molar volume. A linear fit did not accurately describe the relationship between log K ow and molar volume. This is probably due to a decreasing solubility in n-octanol with increasing molar volume. Finally, a high correlation was found between Henry's law constant and molar volume. The presently obtained dataset can be used to predict the fate and behavior of unsubstituted homocyclic PAHs.

A study of the phototoxic effect of Benzo[a] Pyrene on bacteria

“…PAH are also generally highly hydrophobic, with high octanol-water partition coefficients (K OW ) and bioconcentration factors. Thus they easily partition from the aqueous phase into the organic matter or into organisms [43,44] causing them to become inactive.…”

Influence of bioturbation on bioavailability and toxicity of PAHs in sediment from an electronic waste recycling site in South China

“…(2)), and K fw was calculated using the equation log K fw ¼ 0.83 log K ow þ 0.07 by Erical and Robert (2010) and the K ow values from de Maagd et al (1998).…”

Polycyclic Aromatic Hydrocarbons and Polychlorinated Biphenyls in Coastal Environments of Valdivia and Valparaíso, Chile

“…Depuration process may operate not only to reduce the burden of total contaminants but also to change the relative concentration of each component. The lower molecular weight PAHs (2-3 rings) (the water-soluble portion) predominate over the higher molecular weight PAHs (four or more rings) in both sampling area, Valdivia and Valparaiso, which suggest that the main route for absorption of these xenobiotics by mussels is trough the gill, while those 5-6 member ring are mainly ingested through the digestive tract 7 .…”

“…Their harmful presence in the ecosphere has been largely demonstrated by their toxicity to humans and many forms of terrestrial and aquatic life 1 . They show pro-carcinogenic or carcinogenic, endocrine disruption, neurotoxic, teratogenic activities in addition to several other deleterious effects upon exposure to animals, including humans [1][2][3][4][5][6][7] . Biological conversion of POPs into products with increased toxicity, which is known from the bioactivation of xenobiotics in mammals, represents an additional serious health and environmental problem 8,9 .…”

“…Due to their large log K ow these compounds are readily absorbed and accumulated by marine organisms from polluted waters 7,19,20 . The accumulation of PAH and organochlorine compounds in bivalves is a consequence of an inefficient or complete absence of mixed-function oxidase (MFO) enzymes that use the cytochrome P-450 electron transfer system (CYP1A), a protein that plays a critical role in the oxidation of numerous xenobiotics 2,5 .…”