Paterson, S., Mackay, D., Tam, D., and Shiu, W. W., “ Calculation of bioconcentration factors of persistent hydrophobic compounds in the air/vegetation system,” Chemosphere 29, 623– 640 (1994). Method development and influence of physical–chemical properties,” Environ. S., “ Soil/air partitioning of semivolatile organic compounds. Influence of temperature and relative humidity,” Environ. Batterman, S., Zhang, L., Wang, S., and Franzblau, A., “ Partition coefficients for the trihalomethanes among blood, urine, water, milk and air,” Sci. Finizio, A., Mackay, D., Bidleman, T., and Harner, T., “ Octanol-air partition coefficient as a predictor of partitioning of semi-volatile organic chemicals to aerosols,” Atmos. K OA has many possible applications, most notably in linear free–energy relationships for predicting the equilibrium distribution of compounds between the gas phase and atmospheric particles ( Finizio et al., 1997 51. Where C O and C A are the concentrations of a compound in n-octanol and the gas phase in mol m −3, respectively. 111-87-5) and the gas phase at equilibrium, K OA = C O / C A , The unitless octanol–air partition ratio ( K OA) describes the distribution of a chemical between octan-1-ol (CAS No. It is hoped that the database will serve as a source for locating existing K OA data and for the calibration and evaluation of new K OA prediction techniques. K OA values for substances capable of undergoing strong hydrogen bonding derived from regressions with retention times on nonpolar gas chromatographic columns deviate strongly from values estimated by prediction techniques that account for such intermolecular interactions and should be considered suspect. The compilation also identifies measured data that are judged not reliable. Many more measured values have been reported in the log 10 K OA range from 2 to 5 and from 6 to 11 compared to the range from 5 to 6, which is due to the complementary applicability range of static and dynamic measurement techniques.
The range of measured log 10 K OA values extends from −2 to 13.
The dataset includes more than 2500 experimentally derived values and more than 10 000 estimated values for K OA, in total covering over 1500 distinct molecules. Considering the increasing use of K OA in understanding a chemical’s partitioning between a wide variety of organic phases (organic phases in atmospheric particles, plant foliage, polymeric sorbents, soil organic matter, animal tissues, etc.) and the gas phase, we have compiled all K OA values reported in the published literature. While comprehensive data compilations for the octanol–water partition ratio and the Henry’s law constant have existed for many years, no comparable effort for the octanol–air partition ratio ( K OA) exists. Equilibrium partition coefficients or partition ratios are a fundamental concept in physical chemistry, with wide applications in environmental chemistry.
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