Thermodynamics Research Center / ThermoML | Thermochimica Acta

Enthalpies of combustion and formation of 2-acetylpyrrole, 2-acetylfuran and 2-acetylthiophene

Flores, H.[Henoc], Camarillo, E. A., Mentado, J.[Juan]
Thermochim. Acta 2009, 493, 1-2, 76-79
ABSTRACT
The combustion energies for 2-acetylpyrrole (cr) and 2-acetylfuran (cr) were determined using a static bomb calorimeter, whereas the combustion energy of 2-acetylthiophene (l)was determined with a rotating bomb calorimeter; both calorimeters have been recently described. The molar combustion energies obtained were: -(3196.1+-0.6) kJ mol-1 for 2-acetylpyrrole, -(2933.8+-0.7) kJ mol-1 for 2-acetylfuran, and -(3690.4+-0.8) kJ mol-1 for 2-acetylthiophene. From these combustion energy values, the standard molar enthalpies of formation in the condensate phase were obtained as: -(163.51+-0.97) kJ mol-1, -(283.50+-1.06) kJmol-1 and -(123.93+-1.15) kJmol-1, respectively. The obtained values of combustion and formation enthalpies of 2-acetylthiophene are in concordance with the reported previously. For the two last compounds, polyethene bags were used as an auxiliary material in the combustion experiments. The heat capacities and purities of the compounds were determined using a differential scanning calorimeter.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 N2 nitrogen
3 H2O water
4 O2 oxygen
5 H2O4S sulfuric acid
6 C6H7NO 2-acetylpyrrole
7 C6H6O2 2-acetylfuran
8 C6H6OS 2-acetylthiophene
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
  • 6
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 6
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA:corrimp
  • 1
  • POMD
  • 6
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Small sample (50 mg) DSC
  • 1
  • POMD
  • 7
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 7
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA:corrimp
  • 1
  • POMD
  • 7
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Small sample (50 mg) DSC
  • 1
  • POMD
  • 7
  • Mass density, kg/m3 ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • UNKNOWN
  • 1
  • POMD
  • 8
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 1
  • POMD
  • 8
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • UNKNOWN
  • 1
  • RXND
  • 6
  • 1
  • 2
  • 3
  • 4
  • Specific internal energy of reaction at constant volume, J/g
  • Static bomb calorimetry
  • 1
  • RXND
  • 7
  • 1
  • 3
  • 4
  • Specific internal energy of reaction at constant volume, J/g
  • Static bomb calorimetry
  • 1
  • RXND
  • 8
  • 5
  • 1
  • 3
  • 4
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1