Experimental and computational study of the energetics of 5- and 6-aminoindazole

Add time:08/02/2019    Source:sciencedirect.com

This work aims to study the influence of the amino group in positions 5 and 6 of the benzene ring of indazole. For that purpose, the standard (p∘=0.1MPa) molar enthalpies of formation of 5- and 6-aminoindazole, in the gaseous phase, at T = 298.15 K were determined. These values were calculated from the standard massic energies of combustion, measured by combustion calorimetry, and from the standard molar enthalpies of sublimation, computed from the variation with the temperature of the vapour pressures of each compound, measured by the Knudsen effusion technique.CompoundΔcu∘/(J·g-1)ΔcrgHm∘/(kJ·mol-1)ΔfHm∘(g)/(kJ·mol-1)5-Aminoindazole (cr)−29299.4 ± 3.7118.34 ± 0.69265.1 ± 1.86-Aminoindazole (cr)−29255.9 ± 3.9121.95 ± 0.63263.0 ± 1.7

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