Chemisty Research Journal

A Peer Review International Journal

Enthalpy of combustion and enthalpies of formation of solid, liquid and gaseous aspirin by quantum chemistry composite method

Abstract In the present work, a computational study (quantum chemistry composite method) of the thermodynamic properties of aspirin is performed, and the obtained results compared with those from literature. The calculated values for ΔcHm0 (s), ΔfHm0 (s), ΔfHm0 (l) and Δf Hm0 (g) (kJ mol-1), are -4035.35, -775.24, -755.96 and -649.56, respectively, in very good agreement (3%) with experimental values (from literature) obtained by combustion calorimetry.

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