Experimental and computational study on the thermochemistry of ethylpiperidines

摘要: Abstract The standard (p∘ = 0.1 MPa) massic energies of combustion in oxygen 1-ethylpiperidine and 2-ethylpiperidine, both the liquid phase, were measured at T = 298.15 K by static bomb calorimetry. These values used to derive molar enthalpies formation, condensed for these compounds. Further, vaporization, T = 298.15 K, two ethylpiperidine isomers determined Calvet microcalorimetry. calorimetry results together with those from microcalorimetry, gaseous phase. - Δ c H m ∘ ( l ) / kJ · mol 1 g 1-Ethylpiperidine 4776.8 ± 1.6 39.44 ± 0.65 2-Ethylpiperidine 4740.3 ± 1.5 48.22 ± 0.89 In parallel, theoretical calculations have been carried out all isomers, enabling estimation gas-phase formation comparison present experimental data is very good and, thus, supports quality calculated 3-ethyl 4-ethylpiperidines.