ABSTRACT

The heat capacity of diphenylacetylene was measured by vacuum adiabatic calorimetry over the temperature range from (8 to 371) K. The temperature and the enthalpy and entropy of fusion have been determined. The standard thermodynamic functions (changes of the entropy, enthalpy, and Gibbs free energy) were obtained for the crystal and liquid states in the temperature interval studied and for the ideal gas state at T = 298.15 K. The ideal gas entropies in wide temperature range were also calculated by the principle of additivity and statistical thermodynamics using molecular constants determined by the density functional theory (DFT) method on the level B3LYP/cc-pVTZ. The Sm0(g)(298.15K) values derived from the experimental and calculated data agree within (0.3 to 0.2) % which confirms their reliability. The data on thermodynamic properties of diphenylacetylene studied earlier and in this work were critically analyzed for verification of their reliability and mutual consistency.

Compounds

#	Formula	Name
1	C14H10	1,2-diphenylethyne

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Constraint	Phase	Method	#Points
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Gas	Adiabatic calorimetry	1
POMD	1	Triple point temperature, K ; Crystal			Crystal Liquid Gas	Adiabatic calorimetry	1
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Vacuum adiabatic calorimetry	44
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vacuum adiabatic calorimetry	5
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Vacuum adiabatic calorimetry	392
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vacuum adiabatic calorimetry	25
POMD	1	Molar enthalpy, kJ/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Vacuum adiabatic calorimetry	44
POMD	1	Molar enthalpy, kJ/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vacuum adiabatic calorimetry	5
POMD	1	Molar entropy, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Vacuum adiabatic calorimetry	44
POMD	1	Molar entropy, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vacuum adiabatic calorimetry	5

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Heat Capacity and Thermodynamic Functions of Diphenylacetylene

Tkachenko, E.[Ekaterina], Varushchenko, R. M.[Raisa M.], Druzhinina, A. I.[Anna I.], Reshetova, M. D.[Marina D.], Borisova, N. E.[Nataliya E.]

ABSTRACT