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

Thermodynamics of Cyclohexanone Oxime

Zaitsau, D. H.[Dzmitry H.], Paulechka, Y. U.[Yauheni U.], Kabo, G. J.[Gennady J.], Blokhin, A. V.[Andrey V.]
J. Chem. Eng. Data 2008, 53, 3, 694-703
ABSTRACT
The heat capacity of cyclohexanone oxime in the interval of (5 to 370) K was measured in an adiabatic calorimeter. The triple-point temperature Tfus ) (362.20 ( 0.04) K and the enthalpy of fusion Acr liqHmdeg ) (12454 ( 20) J * mol-1 were determined. The vapor pressure was measured by the Knudsen method over crystalline cyclohexanone oxime in the interval of (288 to 323) K and by the transpiration method over crystalline, T ) (286 to 348) K, and liquid, T ) (365 to 395) K, cyclohexanone oxime. Thermodynamic properties in the ideal-gas state were calculated based on the experimental molecular and spectral data and the results of DFT (B3LYP/6-311G(d)) calculations. The experimental and calculated values of the entropy of gaseous cyclohexanone oxime agree within 1 % in the interval of (310 to 362.2) K.
Compounds
# Formula Name
1 C6H11NO cyclohexanone oxime
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 1
  • Crystal 1
  • Liquid
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 3
  • Crystal 3
  • Crystal 2
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 3
  • Crystal 3
  • Crystal 2
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Gas
  • Adiabatic calorimetry
  • 1
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 3
  • Temperature, K; Crystal 3
  • Pressure, kPa; Crystal 3
  • Crystal 3
  • Small (less than 1 g) adiabatic calorimetry
  • 29
  • 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
  • 7
  • 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
  • 7
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small (less than 1 g) adiabatic calorimetry
  • 3
  • POMD
  • 1
  • Molar heat capacity at saturation pressure, J/K/mol ; Crystal 3
  • Temperature, K; Crystal 3
  • Crystal 3
  • Gas
  • Small (less than 1 g) adiabatic calorimetry
  • 255
  • 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
  • 80
  • 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
  • 102
  • POMD
  • 1
  • Molar heat capacity at saturation pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Small (less than 1 g) adiabatic calorimetry
  • 13
  • POMD
  • 1
  • Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Crystal 3
  • Temperature, K; Crystal 3
  • Pressure, kPa; Crystal 3
  • Crystal 3
  • Small (less than 1 g) adiabatic calorimetry
  • 29
  • 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
  • 7
  • 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
  • 7
  • POMD
  • 1
  • Molar enthalpy function {Hm(T)-Hm(0)}/T, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small (less than 1 g) adiabatic calorimetry
  • 3
  • POMD
  • 1
  • Molar entropy, J/K/mol ; Crystal 3
  • Temperature, K; Crystal 3
  • Pressure, kPa; Crystal 3
  • Crystal 3
  • Small (less than 1 g) adiabatic calorimetry
  • 29
  • 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
  • 7
  • 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
  • 7
  • POMD
  • 1
  • Molar entropy, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small (less than 1 g) adiabatic calorimetry
  • 3
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Crystal 2
  • Temperature, K; Crystal 2
  • Crystal 2
  • Gas
  • KNUDSEN:flow
  • 4
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Crystal 1
  • Temperature, K; Crystal 1
  • Crystal 1
  • Gas
  • KNUDSEN:flow
  • 6
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Crystal 2
  • Temperature, K; Crystal 2
  • Crystal 2
  • Gas
  • Transpiration method
  • 8
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Crystal 1
  • Temperature, K; Crystal 1
  • Crystal 1
  • Gas
  • Transpiration method
  • 18
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 17