Experimental and computational study of the molecular energetics of the monoiodoanisole isomers

► Combustion calorimetry was used to determine ΔfHm∘(l, cr) of the monoiodoanisol isomers. ► Vapor pressures as function of the temperature were determined for 4-iodoanisol by the Knudsen mass-loss effusion technique. ► Enthalpies of vaporization of 2- and 3-iodoanisol were determined by Calvet microcalorimetry. ► Gas-phase ΔfHm∘ of the studied compounds have been derived.