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

Thermodynamic Properties of N-Methyl-Substituted Ethane-1,2-diamines: Experimental and Computational Study

Verevkin, S. P.[Sergey P.], Emel yanenko, V. N.[Vladimir N.], Pozdeev, V. A.[Vasiliy A.], Diky, V.[Vladimir], Chirico, R. D.[Robert D.], Kroenlein, K.[Kenneth]
J. Chem. Eng. Data 2016, 61, 5, 1811-1820
ABSTRACT
Vapor pressures for four N-methyl-substituted ethane-1,2-diamines were measured using the transpiration method. Enthalpies of vaporization were derived from the temperature dependence of the vapor pressures. Consistency of the experimental data was assessed and confirmed with group-additivity (GA) and quantum-chemical (QC) methods. Further confirmation of the results is provided through combined assessment with properties reported in the literature for the parent compound ethane-1,2-diamine and a group of alkyl-substituted alkane-1,2-diamines. The effective application of modern QC methods in critical evaluation of enthalpies of vaporization and enthalpies of formation is demonstrated.
Compounds
# Formula Name
1 C3H10N2 N-methylethylenediamine
2 C4H12N2 N1,N2-dimethylethane-1,2-diamine
3 C5H14N2 N,N,N'-trimethylethylenediamine
4 C4H12N2 2-dimethylamino-1-ethylamine
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
  • 22
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 14
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 11
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 18