Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

1,2-Propanediol. Comprehensive experimental and theoretical study

Verevkin, S. P.[Sergey P.], Emel yanenko, V. N.[Vladimir N.], Nell, G.[Gernot]
J. Chem. Thermodyn. 2009, 41, 10, 1125-1131
ABSTRACT
The standard (p 1/4 0:1 MPa) molar enthalpy of formation at the temperature 298.15 K of the liquid 1,2- propanediol was measured using combustion calorimetry. Molar enthalpies of vaporization of isomeric 1,2-propanediols were obtained from the temperature dependence of the vapor pressure measured by the transpiration method. Thermochemical investigations of 1,2-ethanediol and 1,2-propanediol available in the literature were collected and combined with own experimental results. This collection together with the new experimental results reported here has helped to resolve contradictions in the available sublimation enthalpies data and to recommend consistent and reliable set of vaporization and formation enthalpies for both diols under study. Ab initio calculations of gaseous molar enthalpy of formation of 1,2-ethanediol and 1,2-propanediol have been performed using the G3MP2 method and results are in excellent agreement with the selected experimental data.
Compounds
# Formula Name
1 C3H8O2 (+)-(S)-1,2-propanediol
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 57