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Thermodynamic properties of 1-phenylnaphthalene and 2-phenylnaphthalene



Robert D. Chirico, Andrei F. Kazakov, William V. Steele


Measurements leading to the calculation of thermodynamic properties in the ideal-gas state for 1- phenylnaphthalene (Chemical Abstracts registry number [605-02-7]) and 2-phenylnaphthalene (Chemical Abstracts registry number [612-94-2]) are reported. Experimental methods for 1-phenylnaphthalene were adiabatic heat-capacity calorimetry, differential scanning calorimetry, inclined-piston manometry, comparative ebulliometry, vibrating-tube densitometry, and combustion calorimetry. For 2- phenylnaphthalene, the experimental methods were adiabatic heat-capacity calorimetry, differential scanning calorimetry, comparative ebulliometry, and combustion calorimetry. Critical properties were estimated for both compounds. Molar thermodynamic functions (enthalpies, entropies, and Gibbs energies) for the condensed and ideal-gas states were derived from the experimental studies at selected temperatures. Statistical calculations were performed based on molecular geometry optimization and vibrational frequencies calculated at the B3LYP/6-31+G(d,p) and B3LYP/cc-pVTZ levels of theory. Ideal-gas entropies derived with the independent methods are shown to be in good accord for 1-phenylnaphthalene, but significant differences are apparent for 2-phenylnaphthalene. These differences are likely due to a disorder of unknown type in the crystals of 2- phenylnaphthalene at low temperatures, as evidenced by the presence of a glass-like transition in the measured heat capacities for the solid state. All experimental results are compared with property values reported in the literature.
Journal of Chemical Thermodynamics


ideal-gas entropy, heat capacity, vapor pressure, enthalpy of combustion, computational chemistry


Chirico, R. , Kazakov, A. and Steele, W. (2014), Thermodynamic properties of 1-phenylnaphthalene and 2-phenylnaphthalene, Journal of Chemical Thermodynamics, [online], (Accessed June 21, 2024)


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Created January 18, 2014, Updated November 10, 2018