Trinitrotoluene
- Formula: C7H5N3O6
- Molecular weight: 227.1311
- IUPAC Standard InChI: InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
- IUPAC Standard InChIKey: SPSSULHKWOKEEL-UHFFFAOYSA-N
- CAS Registry Number: 118-96-7
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Benzene, 2-methyl-1,3,5-trinitro-; Toluene, 2,4,6-trinitro-; α-TNT; s-Trinitrotoluene; s-Trinitrotoluol; Tolite; Tritol; Trotyl; TNT; 2-Methyl-1,3,5-Trinitrobenzene; 2,4,6-Trinitrotoluene; sym-Trinitrotoluene; sym-Trinitrotoluol; NCI-C56155; TNT-tolite; Trojnitrotoluen; 2,4,6-Trinitrotolueen; 2,4,6-Trinitrotoluol; Tolit; Trotyl oil; 1-Methyl-2,4,6-trinitrobenzene; 2,4,6-TNT; Gradetol; NSC 36949; Tritol (explosive)
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Enthalpy of combustion of solid at standard conditions (nominally 298.15 K, 1 atm.)
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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
| ΔcH°solid (kJ/mol) | Method | Reference | Comment |
|---|---|---|---|
| -3406. ± 3. | Ccb | Rouse, 1976 | ALS |
| -3388.6 ± 3.0 | Ccb | Lenchitz, Velicky, et al., 1971 | ALS |
| -3407. | Ccb | Handrick, 1956 | Stegeman, G. Univ. of Pittsburg 1945; ALS |
| -3404.5 ± 2.1 | Ccb | Young, Keith, et al., 1956 | Reanalyzed by Cox and Pilcher, 1970, Original value = -3418. kJ/mol; ALS |
| -3401.8 ± 3.4 | Ccb | Badoche, 1939 | Reanalyzed by Cox and Pilcher, 1970, Original value = -3407.4 kJ/mol; ALS |
| -3402.3 ± 3.4 | Ccb | Burlot, 1939 | Reanalyzed by Cox and Pilcher, 1970, Original value = -3417.7 kJ/mol; ALS |
| -3419.18 | Ccb | Rinkenbach, 1930 | Author hf298_condensed[kcal/mol]=-16.50; ALS |
| -3434. | Ccb | Garner and Abernethy, 1921 | ALS |
References
Go To: Top, Enthalpy of combustion of solid at standard conditions (nominally 298.15 K, 1 atm.), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
Handrick, 1956
Handrick, G.R.,
Report of the study of pure explosive compounds. Part IV. Calculation of heat of combustion of organic compounds from structural features and calculation of power of high explosives, Rpt. C-58247 for the Office of the Chief of Ordnance, contract DA-19-020-ORD-47 by the Arthur D. Little, Inc., Cambridge, MA, 1956, 467-573. [all data]
Young, Keith, et al., 1956
Young, J.A.; Keith, J.E.; Stehle, P.; Dzombak, W.C.; Hunt, H.,
Heats of combustion of some organic nitrogen compounds,
Ind. Eng. Chem., 1956, 48, 1375-1378. [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]
Badoche, 1939
Badoche, M.M.,
Determinations des chaleurs de combustion de derives nitres de la serie benzenique,
Bull. Soc. Chim. France, 1939, 6, 570-579. [all data]
Burlot, 1939
Burlot, E.,
Etude relative a la calorimetrie des explosifs,
Mem. Poudres, 1939, 29, 226-260. [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]
Garner and Abernethy, 1921
Garner, W.E.; Abernethy, C.L.,
Heats of combustion and formation of nitro-compounds. Part I. - Benzene, toluene, phenol and methylaniline series,
Proc. Roy. Soc. London A, 1921, 213-235. [all data]
Notes
Go To: Top, Enthalpy of combustion of solid at standard conditions (nominally 298.15 K, 1 atm.), References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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