Trinitrotoluene

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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
Δfgas24.1 ± 3.5kJ/molCcbLenchitz, Velicky, et al., 1971 

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
Δfsolid-63.2 ± 5.0kJ/molCcbRouse, 1976ALS
Δfsolid-80.5 ± 3.1kJ/molCcbLenchitz, Velicky, et al., 1971ALS
Δfsolid-49.96kJ/molCcbRinkenbach, 1930Author hf298_condensed[kcal/mol]=-16.50; ALS
Quantity Value Units Method Reference Comment
Δcsolid-3410. ± 20.kJ/molAVGN/AAverage of 8 values; Individual data points

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
243.3298.Yin, Ziru, et al., 1991T = 290 to 345 K. Cp value reported at 298 K is 1.071 J/g*K.; DH
311.7293.Taylor and Rinkenbach, 1924T = 90 to 352 K.; DH

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.

Lenchitz, Velicky, et al., 1971
Lenchitz, C.; Velicky, R.W.; Silvestro, G.; Schlosberg, L.P., Thermodynamic properties of several nitrotoluenes, J. Chem. Thermodyn., 1971, 3, 689-692. [all data]

Rouse, 1976
Rouse, P.E., Jr., Enthalpies of formation and calculated detonation properties of some thermally stable explosives, J. Chem. Eng. Data, 1976, 21, 16-20. [all data]

Rinkenbach, 1930
Rinkenbach, W.H., The heats of combustion and formation of aromatic nitro compounds, J. Am. Chem. Soc., 1930, 52, 115-120. [all data]

Yin, Ziru, et al., 1991
Yin, C.; Ziru, L.; Ganghe, W.; Chengyun, W., et al., Determination of heat capacity of explosives and related materials by DSC, Proc. Int. Pyrotech. Semin. 17th(Vol. 1), 1991, 515-521. [all data]

Taylor and Rinkenbach, 1924
Taylor, C.A.; Rinkenbach, W.H., The specific heats of trinitrotoluene, tetryl, picric acid and their molecular complexes, J. Am. Chem. Soc., 1924, 46, 1504-1510. [all data]


Notes

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