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1H-Benzotriazole

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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas80.19 ± 0.31kcal/molCcbJimenez, Roux, et al., 1989 

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
Deltafsolid56.52 ± 0.29kcal/molCcbJimenez, Roux, et al., 1989ALS
Deltafsolid59.75 ± 0.26kcal/molCcbFagley, Klein, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = 59.66 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-791.6 ± 0.2kcal/molCcbJimenez, Roux, et al., 1989ALS
Deltacsolid-792.2kcal/molCcbZimmerman and Geisenfelder, 1961ALS
Deltacsolid-794.84 ± 0.25kcal/molCcbFagley, Klein, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -794.97 ± 0.21 kcal/mol; ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
42.71298.15Jimenez, Roux, et al., 1989DH

References

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

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

Jimenez, Roux, et al., 1989
Jimenez, P.; Roux, M.V.; Turrion, C., Thermochemical properties of N-heterocyclic compounds II. Enthalpies of combustion, vapour pressures, enthalpies of sublimation, and enthalpies of formation of 1,2,4-triazole and benzotriazole, J. Chem. Thermodyn., 1989, 21, 759-764. [all data]

Fagley, Klein, et al., 1953
Fagley, T.F.; Klein, E.; Albrecht, J.F., Jr., The heats of combustion of diazoaminobenzene, benzotriazole and 2-triazoethanol, J. Am. Chem. Soc., 1953, 75, 3104-31. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

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


Notes

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