Thermodynamic properties of normal and deuterated methanols

Abstract
Structural and spectroscopic data on CH3OH, CH3OD, CDOD were reviewed. The selected values were utilized to calculate the ideal gas thermodynamic properties in the temperature range of 0 to 1500 K, using the rigid-rotor and harmonic-oscillator model. Experimental data for the standard enthalpy of formation at 298.15 K, the heat capacities, and the third-law entropies at elevated temperatures are available only for CH3OH vapor phase where intermolecular association occurs. The agreement between the observed thermal data and our calculated values is satisfactory within the experimental uncertainties. Finally, the standard chemical thermodynamic values for ΔHf°, ΔGf°, and log Kf were generated in the temperature range of 0 to 1500 K.