Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Evaluation of vaporization enthalpies and liquid vapor pressures of cedrol, nerolidol, and 1-adamantanol by correlation gas chromatography

Nelson, C. R.[Carissa R.], Chickos, J. S.[James S.]
J. Chem. Thermodyn. 2017, 115, 253-260
ABSTRACT
The vaporization enthalpies and vapor pressures of (+)-cedrol and nerolidol are reported at T = 298.15 K using a series of alcohols as standards by correlation gas chromatography. Vaporization enthalpies at T = 298.15 K of (88.3 +- 1.5, 91.4 +- 1.5, 92.7 +- 1.6) kJ mol 1 were evaluated for (+)-cedrol, Z-nerolidol and E-nerolidol, respectively. Upon injection into the gas chromatograph, (+)-cedrol was partially converted to a- and b-cedrene, identified by GCMS and independent synthesis. Additionally, the vaporization enthalpy of 1-adamantanol evaluated as an unknown and then used as a standard, compared well to the value calculated from the sublimation, fusion and solid-solid phase transition enthalpies previously reported. Liquid vapor pressures of (+)-cedrol, Z-nerolidol, E-nerolidol and 1-adamantanol are also reported as a function of temperature. A vapor pressure of 187.9 kPa is estimated for 1-adamantanol at the fusion temperature and the vapor pressure of solid 1-adamantanol at T = 298.15 K is reproduced within a factor of two of the literature value.
Compounds
# Formula Name
1 C10H16O 1-adamantanol
2 C15H26O (+)-cedrol
3 C15H26O (E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
4 C15H26O (Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol
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 vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Gas chromatography
  • 22
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • VISOBS
  • 1
  • POMD
  • 2
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Gas chromatography
  • 22
  • POMD
  • 3
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Gas chromatography
  • 22
  • POMD
  • 4
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Correlation gas chromatography
  • 1
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Gas chromatography
  • 22