Thermodynamics Research Center / ThermoML | Thermochimica Acta

Estimation of sublimation enthalpies of aromatic amides at 298.15 K from the values of fusion enthalpies

Yagofarov, M. I.[Mikhail I.], Nagrimanov, R. N.[Ruslan N.], Solomonov, B. N.[Boris N.]
Thermochim. Acta 2016, 646, 26-31
ABSTRACT
In this work a method for determination of sublimation enthalpies of amides substituted in aromatic ring from data on fusion enthalpies at the melting temperature was proposed. This method was checked by calculation of sublimation enthalpies of 12 substituted benzamides, containing -CH3, -OCH3, -F, -OH, -NH2 and -NO2 substituents, as well as m- and p-pyridinecarboxamides, which were compared to literature values. Sublimation enthalpies of 3-aminobenzamide, 3- and 4-nitrobenzamides at 298.15 K were determined by solution calorimetry approach and amounted to 123.9 and 124.5 kJ*mol-1, respectively. This method showed good congruence with the results of direct experiment, as well as with solution calorimetry approach. In most of the cases, divergence does not exceed 2 3%.
Compounds
# Formula Name
1 C7H6N2O3 3-nitrobenzamide
2 C7H6N2O3 p-nitrobenzamide
3 C7H8N2O 3-aminobenzamide
4 C2H3N acetonitrile
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
  • 4
  • 1
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1
  • POMD
  • 4
  • 2
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1
  • POMD
  • 4
  • 3
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Power-compensation calorimetry
  • 1