Thermodynamic properties of normal and deuterated cyclopropenes

Abstract

The specific heat, entropy, enthalpy, and Gibbs free energy of cyclopropene- d 0, cyclopropene-1- d 1, cyclopropene-3- d 1, cyclopropene-1,2- d 2, cyclopropene-3,3- d 2, cyclopropene-1,3,3- d 3, and cyclopropene- d 4 have been calculated for the temperature range 100–1500 K using the rigid-rotor and harmonic oscillator model. The standard enthalpy and Gibbs free energy of formation of cyclopropene- d 0 have also been evaluated for the same temperature range using the experimental standard enthalpy of formation at 298.15 K.