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1H-1,2,4-Triazole

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Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
B - John E. Bartmess
RCD - Robert C. Dunbar
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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Individual Reactions

C2H2N3- + Hydrogen cation = 1H-1,2,4-Triazole

By formula: C2H2N3- + H+ = C2H3N3

Quantity Value Units Method Reference Comment
Deltar1440. ± 8.8kJ/molG+TSTaft, 1991gas phase; B
Quantity Value Units Method Reference Comment
Deltar1410. ± 8.4kJ/molIMRETaft, 1991gas phase; B

Sodium ion (1+) + 1H-1,2,4-Triazole = (Sodium ion (1+) bullet 1H-1,2,4-Triazole)

By formula: Na+ + C2H3N3 = (Na+ bullet C2H3N3)

Quantity Value Units Method Reference Comment
Deltar124. ± 5.0kJ/molCIDTRodgers and Armentrout, 2000RCD

Free energy of reaction

DeltarG° (kJ/mol) T (K) Method Reference Comment
0.00.CIDTRodgers and Armentrout, 2000RCD

1-[1,2,4]Triazol-1-ylethanone + Water = 1H-1,2,4-Triazole + Acetic acid

By formula: C4H5N3O + H2O = C2H3N3 + C2H4O2

Quantity Value Units Method Reference Comment
Deltar-30.5 ± 0.3kJ/molCmWadso, 1960solid phase; Heat of hydrolysis; ALS

1-Butanamine + 1-[1,2,4]Triazol-1-ylethanone = Acetamide, N-butyl- + 1H-1,2,4-Triazole

By formula: C4H11N + C4H5N3O = C6H13NO + C2H3N3

Quantity Value Units Method Reference Comment
Deltar-85.8 ± 0.3kJ/molCmWadso, 1962solid phase; ALS

1H-1,2,3-Triazole = 1H-1,2,4-Triazole

By formula: C2H3N3 = C2H3N3

Quantity Value Units Method Reference Comment
Deltar12.kJ/molEqkMauret, Fayet, et al., 1973liquid phase; solvent: Benzene; ALS

1-[1,2,4]Triazol-1-ylethanone + Aniline = Acetamide, N-phenyl- + 1H-1,2,4-Triazole

By formula: C4H5N3O + C6H7N = C8H9NO + C2H3N3

Quantity Value Units Method Reference Comment
Deltar-72.3 ± 0.3kJ/molCmWadso, 1962solid phase; ALS

Lithium ion (1+) + 1H-1,2,4-Triazole = (Lithium ion (1+) bullet 1H-1,2,4-Triazole)

By formula: Li+ + C2H3N3 = (Li+ bullet C2H3N3)

Quantity Value Units Method Reference Comment
Deltar191. ± 7.9kJ/molCIDTRodgers and Armentrout, 2000RCD

Potassium ion (1+) + 1H-1,2,4-Triazole = (Potassium ion (1+) bullet 1H-1,2,4-Triazole)

By formula: K+ + C2H3N3 = (K+ bullet C2H3N3)

Quantity Value Units Method Reference Comment
Deltar87.0 ± 5.0kJ/molCIDTRodgers and Armentrout, 2000RCD

References

Go To: Top, Reaction thermochemistry data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Taft, 1991
Taft, R.W., , personal communication, Aug, 1991. [all data]

Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [all data]

Wadso, 1960
Wadso, I., Heats of hydrolysis of N-acetylated imidazole, 1,2,4-triazole and tetrazole, Acta Chem. Scand., 1960, 14, 903-908. [all data]

Wadso, 1962
Wadso, I., Heats of aminolysis and hydrolysis of some N-acetyl compounds and of acetic anhydride, Acta Chem. Scand., 1962, 16, 471-478. [all data]

Mauret, Fayet, et al., 1973
Mauret, P.; Fayet, J.P.; Fabre, M.; Elguero, J.; Pardo, M.d.C., Tautomerism study of «upsilon»-triazole from dipolar moment measurements, J. Chim. Phys. Phys.-Chim. Biol., 1973, 70, 1483-1485. [all data]


Notes

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