- Formula: C7H5N3O6
- Molecular weight: 227.1311
- IUPAC Standard InChI:
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- 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
- Other names: Benzene, 2-methyl-1,3,5-trinitro-; Toluene, 2,4,6-trinitro-; «alpha»-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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Reaction thermochemistry data
Go To: Top, References, Notes
Data compiled by: John E. Bartmess
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C7H4N3O6- + =
By formula: C7H4N3O6- + H+ = C7H5N3O6
|rH°||1320. ± 9.2||kJ/mol||G+TS||Koppel, Taft, et al., 1994||gas phase|
|rG°||1293. ± 8.4||kJ/mol||IMRE||Koppel, Taft, et al., 1994||gas phase|
|rG°||1351. ± 21.||kJ/mol||IMRB||Dzidic, Carroll, et al., 1974||gas phase|
Go To: Top, Reaction thermochemistry data, Notes
Koppel, Taft, et al., 1994
Koppel, I.A.; Taft, R.W.; Anvia, F.; Zhu, S.Z.; Hu, L.Q.; Sung, K.S.; Desmarteau, D.D.; Yagupolskii, L.M., The Gas-Phase Acidities of Very Strong Neutral Bronsted Acids, J. Am. Chem. Soc., 1994, 116, 7, 3047, https://doi.org/10.1021/ja00086a038 . [all data]
Dzidic, Carroll, et al., 1974
Dzidic, I.; Carroll, D.I.; Stillwell, R.N.; Horning, E.C., Gas phase reactions. Ionization by proton transfer to superoxide anions, J. Am. Chem. Soc., 1974, 96, 5258. [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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