Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermochemistry of sarcosine and sarcosine anhydride: Theoretical and experimental studies

Amaral, L. M. P. F.[Luisa M. P. F.], Santos, A. F. L. O. M.[Ana Filipa L.O.M.], Ribeiro da Silva, M. D. M. C.[Maria D. M. C.], Notario, R.[Rafael]
J. Chem. Thermodyn. 2013, 58, 315-321
ABSTRACT
The standard molar enthalpies of formation, in the gaseous phase, at T = 298.15 K, of sarcosine, (388.0 +- 1.0) kJ mol 1, and sarcosine anhydride, (334.5 +- 1.6) kJ mol 1, were calculated by combining, for each compound, the standard molar enthalpy of formation, in the crystalline phase, and the standard molar enthalpy of sublimation, derived from measurements of the standard massic energies of combustion by static bomb combustion calorimetry, and from measurements of vapour pressures by the Knudsen mass-loss effusion method, respectively. The standard (po = 0.1 MPa) molar enthalpies, entropies and Gibbs functions of sublimation, at T = 298.15 K, were also calculated. A theoretical study at the G3 and G4 levels has been carried out, and the calculated enthalpies of formation have been compared with the experimental ones.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 N2 nitrogen
3 H2O water
4 O2 oxygen
5 C3H7NO2 sarcosine
6 C6H10N2O2 1,4-dimethyl-2,5-piperazinedione
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
  • 5
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Derived by Second law
  • 1
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calculated from knudsen effusion weight loss
  • 36
  • POMD
  • 6
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Derived by Second law
  • 1
  • POMD
  • 6
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calculated from knudsen effusion weight loss
  • 36
  • RXND
  • 5
  • 1
  • 2
  • 3
  • 4
  • Specific internal energy of reaction at constant volume, J/g
  • Static bomb calorimetry
  • 1
  • RXND
  • 6
  • 1
  • 2
  • 3
  • 4
  • Specific internal energy of reaction at constant volume, J/g
  • Static bomb calorimetry
  • 1