Enthalpy of formation of 2-methyltetrahydrofuran: Experimental and computational study

• Combustion experiments were performed for 2-methyltetrahydrofuran. • Enthalpy of formation was derived and validated by theoretical calculations. • Reliability of enthalpy of formation of tetrahydrofuran is questioned. The liquid phase standard molar enthalpy of formation of 2-methyltetrahydrofuran was determined by isoperibolic calorimetry of combustion. The purity of the sample was determined by the g.l.c and the cryoscopic methods. Using available enthalpy of vaporization, the gas phase enthalpy of formation was obtained. This value agrees well with that calculated by DLPNO-CCSD(T 1 )/CBS method.