Petroleum Chemistry, Vol.41, No.2, 93-102, 2001
Evaluation of C-H bond dissociation energies in hydrocarbons and the enthalpies of the relevant radicals from kinetic data
The C-H bond dissociation energies for a series of cycloalkanes (25 compounds) and olefins (32 compounds) were calculated from kinetic data using the parabolic model of bimolecular reactions. The bond dissociation energies in alkanes were evaluated for CH2 groups, depending on their position in the chain. The enthalpies of formation were refined for 102 hydrocarbon radicals.