title: Partition coefficients and surface areas of some alkylbenzenes.
abstract: The experimentally measured log P values (logarithms of partition coefficients) of a number of alkylbenzenes are shown to be quantitatively related to the hydrocarbon surface area HSA of the molecule by pi = 0.0275 X HSA - 0.863 (correlation coefficient =0.996, standard deviation = 0.071). The use of surface area as a correlating parameter eliminates the need for correction factors to account for branching, cyclization, ring fusion, and "backfolding". Futhermore, surface area calculations provide a conceptual basis for understanding how conformation can effect partitioning.
mesh_terms: D001555:Benzene Derivatives; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D007700:Kinetics; D008968:Molecular Conformation; D013499:Surface Properties
chemical_list: D001555:Benzene Derivatives