The Entropy of Acetone and Isopropyl Alcohol from Molecular Data. The Equilibrium in the Dehydrogenation of Isopropyl Alcohol

The entropy and free energy of acetone and isopropyl alcohol gases have been calculated from the molecular data at several temperatures on the basis of (a) free internal rotation (b) restricted rotation (with the potentials: Acetone, about C–C bond=1000 cal.; isopropyl alcohol, about C–C bond=3400 cal. about C–O=5000 cal.). The values based on restricted internal rotation were made to be consistent with the third law values. They are in better agreement with the ΔS values from the equilibrium data than those assuming free rotation.