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

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Abstract
Aqueous solubilities, n‐octanol/water partition coefficients (Kows), 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 Kows 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, Kows, 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 Kow 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.