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Simplified Estimation of the Octanol−Air Partition Coefficient

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journal contribution
posted on 28.03.2007, 00:00 by Kia Sepassi, Samuel H. Yalkowsky
The octanol−air partition coefficient is commonly used to understand the extent of chemical partitioning between the atmosphere and organic matter in the environment. In this study, octanol−air partition coefficients were estimated by generating an expression from combining empirical equations for the molar octanol solubility and saturated vapor pressures of organic compounds. The resultant equation simply estimates octanol−air partition coefficients from boiling points, entropies of boiling, and heat capacity changes on boiling.