Abstract
The standard (p=0.1MPa) molar enthalpy of formation of 6,7-dihydro-4(5H)-benzofuranone was measured, at T=298.15K, by static bomb calorimetry and the standard molar enthalpy of vaporization, at T=298.15K, was obtained using Calvet microcalorimetry. These values were combined together to derive the standard molar enthalpy of formation of the title compound in gaseous phase, at T=298.15K, −(226.0±2.8)kJ·mol−1. [Display omitted] Additionally, density functional theoretical calculations using the B3LYP hybrid exchange-correlation energy functional with extended basis sets and also other higher-level ab initio quantum calculations have been performed.
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