Thermodynamics Research Center / ThermoML | Thermochimica Acta

Thermodynamic properties of 2-adamantanone in the condensed and ideal gaseous states

Bazyleva, A. B.[Ala B.], Blokhin, A. V., Kabo, G. J. , Kabo, A. G., Sevruk, V. M.[Viktor M.]
Thermochim. Acta 2006, 451, 1-2, 65-72
ABSTRACT
The results of a comprehensive study of thermodynamic properties of 2-adamantanone in different phase states are reported. The heat capacity of the compound in the condensed state was measured from 5 to 310 K with an adiabatic calorimeter and between 290 and 610 K with a differential scanning calorimeter of the heat-bridge type. Adamantanone undergoes a solid-to-solid phase transition at 216.4 +- 0.1 K with DtrsH = 7.627 +- 0.014 kJ*mol-1 and fusion at 557.5 +- 0.2 K with DfusH = 11.77 +- 0.24 kJ*mol-1. The solid-phase transition is associated with formation of orientationally disordered (plastic) crystal. The thermodynamic functions of the compound in the crystalline and liquid states were obtained. The saturated vapour pressure for crystalline adamantanone between 280 and 333 K was determined by the Knudsen effusion method, the undersaturation of the vapours in the effusion cell being taken into account. The sublimation enthalpy of the compound was measured with a differential Calvet-type calorimeter. The weighted average value of the sublimation enthalpy was DsubH (298.15 K) = 66.38 +- 0.25 kJ*mol-1. The thermodynamic properties of the compound in the ideal gaseous state were calculated by statistical thermodynamics.
Compounds
# Formula Name
1 C10H14O 2-adamantanone
2 C7H6O2 benzoic acid
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 2
  • Crystal 2
  • Crystal 1
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1
  • Crystal 1
  • Liquid
  • Gas
  • DSC
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Gas
  • DTA:corrimp
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Gas
  • DTA:corrimp
  • 1
  • POMD
  • 1
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Crystal 1
  • Gas
  • Flow calorimetry
  • 1
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Small (less than 1 g) adiabatic calorimetry
  • 27
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Small (less than 1 g) adiabatic calorimetry
  • 11
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Large sample (1 g) DSC
  • 4
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Large sample (1 g) DSC
  • 13
  • POMD
  • 1
  • Molar heat capacity at saturation pressure, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Crystal 2
  • Gas
  • Small (less than 1 g) adiabatic calorimetry
  • 117
  • POMD
  • 1
  • Molar heat capacity at saturation pressure, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Crystal 1
  • Gas
  • Small (less than 1 g) adiabatic calorimetry
  • 41
  • POMD
  • 1
  • Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Small (less than 1 g) adiabatic calorimetry
  • 27
  • POMD
  • 1
  • Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Small (less than 1 g) adiabatic calorimetry
  • 11
  • POMD
  • 1
  • Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Large sample (1 g) DSC
  • 4
  • POMD
  • 1
  • Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Large sample (1 g) DSC
  • 13
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Crystal 1
  • Temperature, K; Crystal 1
  • Crystal 1
  • Gas
  • KNUDSEN:flow
  • 20
  • POMD
  • 1
  • Molar entropy, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Small (less than 1 g) adiabatic calorimetry
  • 27
  • POMD
  • 1
  • Molar entropy, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Small (less than 1 g) adiabatic calorimetry
  • 11
  • POMD
  • 1
  • Molar entropy, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Large sample (1 g) DSC
  • 4
  • POMD
  • 1
  • Molar entropy, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Large sample (1 g) DSC
  • 13
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • KNUDSEN:flow
  • 18