Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Benchmark thermodynamic properties of alkanediamines: Experimental and theoretical study

Verevkin, S. P.[Sergey P.], Emel'yanenko, V. N.[Vladimir N.], Garist, I. V.[Inna V.]
J. Chem. Thermodyn. 2015, 87, 34-42
ABSTRACT
Vapor pressures of (dl)-1,2-propanediamine and 2-methyl-1,2-propanediamine were measured using the transpiration method. Molar enthalpies of vaporization were derived from the vapor pressure temperature dependence. Thermodynamic data on alkanediamines available in the literature were collected and treated uniformly. Consistency of the experimental data set for alkanediamines was evaluated with group-contribution and quantum-chemical methods. The standard molar entropy of formation and the standard molar Gibbs function of formation have been calculated. Vaporization and formation enthalpies of alkanediamines of benchmark quality are recommended for practical thermochemical calculations and validation of empirical and theoretical methods.
Compounds
# Formula Name
1 C3H10N2 1,2-propanediamine
2 C4H12N2 2-methyl-1,2-propanediamine
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
  • 28
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 25