Abstract
Employing recent molecular, spectroscopic and thermal constants, the ideal gas thermodynamic properties [ C 0 p, S 0, H 0 ( T) - H 0(0), Δ H 0 f and Δ G 0 f] of toluene, o-xylene, m-xylene and p-xylene in the temperature range 0–3000 K are calculated by the statistical mechanical method. A potential function, formed by summation of internal rotational energy levels, is used for evaluating the internal rotational contributions to the thermodynamic properties caused by the presence of each CH 3 rotor in these molecules. The internal rotational energy levels for each rotor are calculated by solving the wave equation using the adopted internal rotational constant and potential function for the given rotor. The heat capacities and entropies obtained agree with the experimental values. The sources of molecular data and method of calculation are described in detail.
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