Thermodynamics of Chlorinated Phenols, Polychlorinated Dibenzo- p -Dioxins, Polychlorinated Dibenzofurans, Derived Radicals, and Intermediate Species

The thermodynamics of 31 chlorinated phenols, polychlorinated dibenzo-p-dioxins, polychlorinated dibenzofurans, and some chlorinated cyclo–C5 compounds have been calculated. Twelve of these species are radicals. Additionally the thermodynamic properties of temperature dependent tables (T=0 K–6000 K) of the ideal gas phase thermodynamic properties are listed, together with recommended values for the structure, vibrational frequencies, and enthalpy of formation either found in the literature or calculated.