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Journal of Chemical Thermodynamics, Vol.58, 476-478, 2013
Experimental redetermination of the gas-phase enthalpy of formation of ethyl 2-thiophenecarboxylate
The condensed phase standard (p(o) = 0.1 MPa) molar enthalpy of formation of ethyl-2-thiophenecarboxylate was derived from the remeasured standard molar energy of combustion, in oxygen, at T = 298.15 K, by rotating bomb combustion calorimetry and the standard molar enthalpy of vaporization, at T = 298.15 K, remeasured by Calvet microcalorimetry. Combining these two values, the following enthalpy of formation in the gas phase, at T = 298.15 K, was then derived for ethyl-2-thiophenecarboxylate: -(277.7 +/- 2.9) kJ . mol(-1). The calculated gas-phase enthalpy of formation of the title compound, through the G3(MP2)//B3LYP approach was found to be 278.9 kJ . mol(-1), in excellent agreement with the experimental measured value. (C) 2012 Elsevier Ltd. All rights reserved.
Keywords:Ethyl-2-thiophenecarboxylate;Energy of combustion;Enthalpy of vaporization;Standard molar enthalpy of formation;Rotating bomb combustion calorimetry;Calvet microcalorimetry;G3(MP2)//B3LYP approach