Thermodynamic properties in the gaseous state of certain monosubstituted benzenes

Abstract The vibrational vapour-phase frequencies and recently reported moments of inertia have been used for computing thermodynamic properties of one mole gas of both benzaldehyde and the two deuterated species of phenol (C 6 H 5 OD and C 6 D 5 OH) at 1 atmosphere pressure in the temperature range 200–1000 K for the first time. The earlier similar data for chlorobenzene and phenol have been revised. The gas imperfection correction has been applied to the calculated thermodynamic properties of all the molecules. The effect of hindered rotation in benzaldehyde and the three species of phenol has also been taken into account. The correction for isotopic mixing of 35 Cl and 37 Cl in chlorobenzene has been applied to improve upon the earlier results. Good agreement between the observed (where data is available) and computed values is obtained.