7-Methoxy-4-methylcoumarin: Standard Molar Enthalpy of Formation Prediction in the Gas Phase Using Machine Learning and Its Comparison to the Experimental Data.

ABSTRACT: Experimentally, the standard molar enthalpy of formation in the crystalline phase at 298.15 K, Δ_fH_m°(cr) for 7-methoxy-4-methylcoumarin (7M4MC) was calculated by traditional linear regression, which was obtained by combustion calorimetry. Similarly, the standard molar enthalpy of sublimation was determined through the standard molar enthalpy of fusion and by the standard molar enthalpy of vaporization, from differential scanning calorimetry and thermogravimetry, respectively; lately using these results, the standard molar enthalpy of formation in the gas phase was calculated at 298.15 K, Δ_fH_m°(g). In addition ML was used to predict the standard molar enthalpy of formation in the gas phase for the 7M4MC, constructing an experimental

SUBMITTER: Diaz-Sanchez F 

PROVIDER: S-EPMC10753555 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature