Abstract
A relationship between the partition coefficient (P) and the boiling point (TBp, expressed in degrees Kelvin) was derived as\(T_{Bp} = \hat \alpha * ln(P) + \hat \beta\). The relationship is based on the Clausius-Clapeyron equation and is valid for volatile lipophilic compounds, when one of the phases is air. Specific tissue/air and whole animal/air partition coefficients, as published in the literature, were used to validate the equation.
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Csanády, G.A., Laib, R.J. Use of linear free energy relationships in toxicology: prediction of partition coefficients of volatile lipophilic compounds. Arch Toxicol 64, 594–596 (1990). https://doi.org/10.1007/BF01971841
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DOI: https://doi.org/10.1007/BF01971841