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1H-Tetrazole

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Gas phase 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas76.6 ± 0.7kcal/molCcbBalepin, Lebedev, et al., 1977ALS
Deltafgas76.74kcal/molN/AMcEwan and Rigg, 1951Value computed using «DELTA»fHsolid° value of 237.1 kj/mol from McEwan and Rigg, 1951 and «DELTA»subH° value of 84.0 kj/mol from Balepin, Lebedev, et al., 1977.; DRB

Condensed phase 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafsolid56.4 ± 0.1kcal/molCcbBalepin, Lebedev, et al., 1977ALS
Deltafsolid56.66kcal/molCcbMcEwan and Rigg, 1951ALS
Quantity Value Units Method Reference Comment
Deltacsolid-218.8 ± 0.1kcal/molCcbBalepin, Lebedev, et al., 1977ALS
Deltacsolid-219.0kcal/molCcbZimmerman and Geisenfelder, 1961ALS
Deltacsolid-219.03 ± 0.21kcal/molCcbMcEwan and Rigg, 1951ALS
Quantity Value Units Method Reference Comment
solid,1 bar23.03cal/mol*KN/AKabo, Kozyro, et al., 1993crystaline, I phase; DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
18.29298.15Kabo, Kozyro, et al., 1993crystaline, I phase; T = 5 to 320 K.; DH

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

CHN4- + Hydrogen cation = 1H-Tetrazole

By formula: CHN4- + H+ = CH2N4

Quantity Value Units Method Reference Comment
Deltar333.7 ± 2.1kcal/molG+TSTaft, 1991gas phase; B
Quantity Value Units Method Reference Comment
Deltar326.4 ± 2.0kcal/molIMRETaft, 1991gas phase; B

1-Acetyl-1H-tetrazole + Water = 1H-Tetrazole + Acetic acid

By formula: C3H4N4O + H2O = CH2N4 + C2H4O2

Quantity Value Units Method Reference Comment
Deltar-10.31 ± 0.09kcal/molCmWadso, 1960solid phase; Heat of hydrolysis; ALS

1-Acetyl-1H-tetrazole + Aniline = Acetamide, N-phenyl- + 1H-Tetrazole

By formula: C3H4N4O + C6H7N = C8H9NO + CH2N4

Quantity Value Units Method Reference Comment
Deltar-20.22 ± 0.08kcal/molCmWadso, 1962solid phase; ALS

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes

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

Balepin, Lebedev, et al., 1977
Balepin, A.A.; Lebedev, V.P.; Miroshnichenko, E.A.; Koldobskii, G.I.; Ostovskii, V.A.; Larionov, B.P.; Gidaspov, B.V.; Lebedev, Yu.A., Energy effects in polyphenylenes and phenyltetrazoles, Svoistva Veshchestv Str. Mol., 1977, 93-98. [all data]

McEwan and Rigg, 1951
McEwan, W.S.; Rigg, M.W., The heats of combustion of compounds containing the tetrazole ring, J. Am. Chem. Soc., 1951, 73, 4725-4727. [all data]

Zimmerman and Geisenfelder, 1961
Zimmerman, H.; Geisenfelder, H., Uber die Mesomerieenergie von Azolen, Z. Electrochem., 1961, 65, 368-371. [all data]

Kabo, Kozyro, et al., 1993
Kabo, G.J.; Kozyro, A.A.; Krasulin, A.P.; Sevruk, V.M.; Ivashkevich, L.S., Thermodynamic properties and tautomerism of tetrazole, J. Chem. Thermodynam., 1993, 25, 485-493. [all data]

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


Notes

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