1H-Tetrazole, 1-phenyl-


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
Δfgas107.1 ± 0.7kcal/molCcbBalepin, Lebedev, et al., 1977ALS
Δfgas111.3kcal/molN/AMcEwan and Rigg, 1951Value computed using ΔfHsolid° value of 361.8 kj/mol from McEwan and Rigg, 1951 and ΔsubH° value of 104.0 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
Δfsolid82.3 ± 0.1kcal/molCcbBalepin, Lebedev, et al., 1977 
Δfsolid86.47kcal/molCcbMcEwan and Rigg, 1951 
Quantity Value Units Method Reference Comment
Δcsolid-945.6 ± 0.1kcal/molCcbBalepin, Lebedev, et al., 1977 
Δcsolid-949.78 ± 0.36kcal/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.

Quantity Value Units Method Reference Comment
Δsub24.8 ± 0.6kcal/molVBalepin, Lebedev, et al., 1977ALS
Δsub24.86kcal/molN/ABalepin, Lebedev, et al., 1977DRB

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]


Notes

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