Thermodynamics Research Center / ThermoML | Thermochimica Acta

Studying the sublimation thermodynamics of ethionamide and pyridine carbothioamide isomers by transpiration method

Blokhina, S.[Svetlana], Sharapova, A.[Angelica], Ol'khovich, M.[Marina], Volkova, T.[Tatyana], Perlovich, G.[German]
Thermochim. Acta 2015, 622, 97-102
ABSTRACT
Temperature dependences of saturated vapor pressure for crystalline phases of 2-ethyl-4-pyridinecarbothioamide (ethionamide) and two parent compounds 2- and 4-pyridinecarbothioamide isomers were measured by the transpiration method.The results were used to determine the standard molar enthalpies, entropies and Gibbs energies of sublimation at T = 298.15K. HYBOT descriptors application has shown an increase in the donor-acceptor ability of the molecules of the studied compounds to form hydrogen bonds to result in their crystal lattice energy growth.The obtained standard molar sublimation enthalpies have been compared with the literature results for 2- and 4-substituted pyridine isomers.
Compounds
# Formula Name
1 C8H10N2S 2-ethyl-4-pyridinecarbothioamide
2 C6H6N2S 4-pyridinecarbothioamide
3 C6H6N2S 2-pyridinecarbothioamide
4 C7H6O2 benzoic acid
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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Transpiration method
  • 14
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Transpiration method
  • 14
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Transpiration method
  • 12
  • POMD
  • 4
  • Molar enthalpy of vaporization or sublimation, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Derived by Second law
  • 1