Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Experimental thermochemical study of 3-acetyl-2-methyl-5-phenylthiophene

Ribeiro da Silva, M. A. V.[Manuel A. V.], Santos, A. F. L. O. M.[Ana Filipa L.O.M.]
J. Chem. Thermodyn. 2010, 42, 1, 128-133
ABSTRACT
The standard (p 1/4 0:1 MPa) massic energy of combustion, in oxygen, of the crystalline 3-acetyl-2- methyl-5-phenylthiophene was measured, at T = 298.15 K, by rotating-bomb combustion calorimetry, from which the standard molar enthalpy of formation, in the condensed phase, was calculated as DfH mocrP 1/4 o104:3 3:1P kJ mol 1. The corresponding standard molar enthalpy of sublimation, at T = 298.15 K, Dg crH m 1/4 o108:9 0:4P kJ mol 1, was derived by the Clausius Clapeyron equation, from the temperature dependence of the vapour pressures of this compound, measured by the Knudsen effusion mass-loss technique. From the results presented above, the standard molar enthalpy of formation, in the gaseous phase, at T = 298.15 K, was derived, DfH mogP 1/4 o4:6 3:1P kJ mol 1. This value, in conjunction with the literature values of the experimental enthalpies of formation of thiophene, 2-methylthiophene, and 3-acetylthiophene, was used to predict the enthalpic increment due to the introduction of a phenyl group in the position 2- of the thiophene ring. The calculated increment was compared with the corresponding ones in benzene and pyridine derivatives.
Compounds
# Formula Name
1 H2O4S sulfuric acid
2 CO2 carbon dioxide
3 H2O water
4 O2 oxygen
5 C13H12OS 3-acetyl-2-methyl-5-phenylthiophene
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 transition or fusion, kJ/mol ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Clausius-Clapeyron Eq with Heat Capacity
  • 1
  • POMD
  • 5
  • Vapor or sublimation pressure, kPa ; Crystal
  • Temperature, K; Crystal
  • Crystal
  • Gas
  • Calculated from knudsen effusion weight loss
  • 36
  • POMD
  • 5
  • Molar enthalpy, kJ/mol ; Gas
  • Temperature, K; Gas
  • Pressure, kPa; Gas
  • Gas
  • Clausius-Clapeyron Eq
  • 1
  • RXND
  • 1
  • 5
  • 2
  • 3
  • 4
  • Specific internal energy of reaction at constant volume, J/g
  • Rotating bomb calorimetry
  • 1