Thermodynamic properties of ε-Caprolactam and ε-Caprothiolactam

The Journal of Chemical Thermodynamics(2019)

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摘要
•Energetic characterization of lactam derivatives.•Conformational analysis of ε-caprolactam and ε-caprothiolactam.•Measurement of the massic energies of combustion for ε-caprolactam and ε-caprothiolactam.•Measurement of enthalpy of sublimation for ε-caprolactam and ε-caprothiolactam.•Experimental and computational gas-phase enthalpies of formation.
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关键词
Conformer composition,Lactam derivatives,Enthalpy of formation,Enthalpy of sublimation,Calorimetry,G3MP2//B3LYP approach
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