4-Fluorotoluene: Chemical Thermodynamic Properties, Vibrational Assignment, and Internal Rotation

Thermodynamic data were obtained for 4-fluorotoluene and correlated by methods of statistical mechanics to derive values of the chemical thermodynamic properties in the ideal-gas state from 0° to 1500°K. A vibrational assignment consistent with the calorimetric data was obtained. Internal rotation was shown to be essentially free. Experimental studies provided the following information: values of heat capacity for the solid (13°K to the triple point), the liquid (triple point to 361°K), and the vapor (377° to 500°K); the triple-point temperature; the heat of fusion; thermodynamic functions for the solid and liquid (0° to 390°K); heat of vaporization (347° to 390°K); parameters of the equation of state; and vapor pressure (341° to 428°K).