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Physicochemical properties of polycyclic aromatic hydrocarbons: Aqueous solubilities, n ‐octanol/water partition coefficients, and Henry's law constants
Author(s) -
de Maagd P. GertJan,
ten Hulscher Dorien Th. E. M.,
van den Heuvel Henny,
Opperhuizen Antoon,
Sijm Dick T.H.M.
Publication year - 1998
Publication title -
environmental toxicology and chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.1
H-Index - 171
eISSN - 1552-8618
pISSN - 0730-7268
DOI - 10.1002/etc.5620170216
Subject(s) - henry's law , partition coefficient , solubility , chemistry , molar volume , compressed fluid , thermodynamics , octanol , aqueous solution , volume (thermodynamics) , organic chemistry , physics
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.