Ideal gas thermodynamic properties of six fluoroethanes

Abstract

The molecular structural parameters, the vibrational fundamentals, the potential barrier height to internal rotation, and the standard enthalpy of formation for each of the six fluoroethanes in which at least one of the internally rotating groups is a symmetric top have been extensively studied and recommended values selected. Chemical thermodynamic properties of molecules in the ideal gas state at temperatures from 0 to 1500 K have been calculated with the rigid-rotor harmonic-oscillator approximation. The calculated values are in very good agreement with the existing third-law entropies.