Use of linear free energy relationships in toxicology: prediction of partition coefficients of volatile lipophilic compounds.
A relationship between the partition coefficient (P) and the boiling point (TBp, expressed in degrees Kelvin) was derived as TBp = alpha *ln(P) + 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.
Csanády
G A
GA
Institut für Arbeitsphysiologie, Universität Dortmund, Federal Republic of Germany.
Laib
R J
RJ
D008055:Lipids; D013329:Structure-Activity Relationship; D013816:Thermodynamics; D014116:Toxicology / Q000379:methods*; D014835:Volatilization
D008055:Lipids