1H-Tetrazole, 1,5-diphenyl-


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
Δfgas125.9 ± 0.9kcal/molCcbBalepin, Lebedev, et al., 1977ALS
Δfgas128.0kcal/molN/AMcEwan and Rigg, 1951Value computed using ΔfHsolid° value of 415.6 kj/mol from McEwan and Rigg, 1951 and ΔsubH° value of 120.0 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfsolid97.2 ± 0.4kcal/molCcbBalepin, Lebedev, et al., 1977 
Δfsolid99.32kcal/molCcbMcEwan and Rigg, 1951 
Quantity Value Units Method Reference Comment
Δcsolid-1661.5 ± 0.4kcal/molCcbBalepin, Lebedev, et al., 1977 
Δcsolid-1663.58 ± 0.52kcal/molCcbMcEwan and Rigg, 1951 

Phase change 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.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub28.7 ± 0.5kcal/molVBalepin, Lebedev, et al., 1977ALS
Δsub28.68kcal/molN/ABalepin, Lebedev, et al., 1977DRB

Enthalpy of sublimation

ΔsubH (kcal/mol) Temperature (K) Method Reference Comment
29.05348.VMcEwan and Rigg, 1951ALS
29.0 ± 1.0355.MEMcEwan and Rigg, 1951Based on data from 348. to 363. K. See also Cox and Pilcher, 1970.; AC

References

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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]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]


Notes

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