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Ana Filipa L.O.M. Santos Manuel A.V. Ribeiro da Silva 《The Journal of chemical thermodynamics》2010,42(6):734-741
The standard (p° = 0.1 MPa) molar enthalpies of formation, in the crystalline phase, of 1-phenylpyrrole and 1-(4-methylphenyl)pyrrole, at T = 298.15 K, were derived from the standard molar energies of combustion in oxygen, measured by static-bomb combustion calorimetry. For these compounds, the standard molar enthalpies of sublimation, at T = 298.15 K, were determined from the temperature–vapour pressure dependence, obtained by the Knudsen mass-loss effusion method. Using estimated values for the heat capacity differences between the gas and the crystal phases of the studied compounds, the standard (p° = 0.1 MPa) molar enthalpies, entropies, and Gibbs energies of sublimation, at T = 298.15 K, were derived. From the experimental values, the standard molar enthalpies of formation, in the gaseous phase, at T = 298.15 K, were calculated.Additionally, the enthalpies of formation of both compounds were estimated using the composite G3(MP2)//B3LYP approach together with adequate gas-phase working reactions. There is a very good agreement between computational and experimental results. 相似文献
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Phthalazine and 1(2H)-phthalazinone undergo 1,2-addition of organolithium compounds to C = N to give, following hydrolysis, 1 - substituted - 1,2 - dihydrophthalazines and 4-substituted-3,4-dihydro-1(2H)-phthalazinones respectively. These dihydro-derivatives may be easily autoxidized to the corresponding 1-substituted phthalazines and 4-substituted-1(2H)-phthalazinones. 相似文献
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cis-4a, 5,6,7,8,8a-Hexahydro-4-phenyl-1(2H)-phthalazinones (2) react with thionyl chloride in benzene to give tetrahydro derivatives (3); the corresponding reaction of methylene bridged derivatives (5) is also described. 相似文献
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《The Journal of chemical thermodynamics》2006,38(8):1072-1078
The standard (p∘ = 0.1 MPa) massic energies of combustion in oxygen of 1-ethylpiperidine and 2-ethylpiperidine, both in the liquid phase, were measured at T = 298.15 K by static bomb calorimetry. These values were used to derive the standard molar enthalpies of combustion and the standard molar enthalpies of formation, in the condensed phase, for these compounds. Further, the standard molar enthalpies of vaporization, at T = 298.15 K, of these two ethylpiperidine isomers were determined by Calvet microcalorimetry. The combustion calorimetry results together with those from the Calvet microcalorimetry, were used to derive the standard molar enthalpies of formation, at T = 298.15 K, in the gaseous phase.
Empty Cell | ||
1-Ethylpiperidine | 4776.8 ± 1.6 | 39.44 ± 0.65 |
2-Ethylpiperidine | 4740.3 ± 1.5 | 48.22 ± 0.89 |