title: Thermochemical properties and relative stability of polychlorinated biphenyls.
abstract: The values of thermochemical quantities (enthalpy and Gibbs energy of formation, entropy and molar heat capacity) in the ideal gas state and dihedral angles for all 209 polychlorinated biphenyls were obtained by the Benson contribution method and ab initio calculations. The di-, tri- and tetra-ortho-chlorinated biphenyls are related with properties of WHO non-ortho- and mono-ortho-biphenyls in connection with their potential human toxicities.
authors.affiliation: Department of Physical Chemistry, Institute of Chemical Technology, Technická 5, 16628 Prague 6, Czech Republic.
authors.forename: Michal
authors.initials: M
authors.lastname: Bureš
authors.forename: Vladimír
authors.initials: V
authors.lastname: Pekárek
authors.forename: Tomáš
authors.initials: T
authors.lastname: Ocelka