- Formula: C6H6N6O6
- Molecular weight: 258.1484
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: JDFUJAMTCCQARF-UHFFFAOYSA-N
- CAS Registry Number: 3058-38-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: s-Triaminotrinitrobenzene; sym-Triaminotrinitrobenzene; TATB; 1,3,5-Triamino-2,4,6-trinitrobenzene; 2,4,6-Trinitro-1,3,5-benzenetriamine; 2,4,6-Trinitrobenzene-1,3,5-triamine; NSC 243156
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|fH°solid||-17.85 ± 0.71||kcal/mol||Ccb||Baroody and Peters, 1987|
|fH°solid||-33.4 ± 1.2||kcal/mol||Ccb||Rouse, 1976|
|fH°solid||-36.9||kcal/mol||Ccb||Fedoroff and Shefield, 1975|
|cH°solid||-735.9 ± 0.5||kcal/mol||Ccb||Rouse, 1976|
Phase change data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compiled by: William E. Acree, Jr., James S. Chickos
Enthalpy of sublimation
|subH (kcal/mol)||Temperature (K)||Method||Reference||Comment|
|40.2||423.||N/A||Rai, Bhatt, et al., 2008||See also Garza, 1979.|
|40.20||417.||LE||Stephenson and Malanowski, 1987||Based on data from 402. - 451. K. See also Rosen and Dickinson, 1969.|
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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|Owner||NIST Mass Spectrometry Data Center|
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
|Origin||Japan AIST/NIMC Database- Spectrum MS-IW-3309|
|NIST MS number||237178|
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
Baroody and Peters, 1987
Baroody, E.E.; Peters, S.T., Heats of formation of propellant compounds (U), Rpt. IHSP-87-252 by Naval Ordnance Station, Indian Head, MD, 1987, 1-7. [all data]
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]
Fedoroff and Shefield, 1975
Fedoroff, B.T.; Shefield, O.E., Table 1. Standard heats of formation and heats of detonation of common explosives in Encyclopedia of Explosives and Related Items, Part 2700 Volume 7, Picatinny Arsenal, Dover, NJ., 1975, 41-42. [all data]
Rai, Bhatt, et al., 2008
Rai, Neeraj; Bhatt, Divesh; Siepmann, J. Ilja; Fried, Laurence E., Monte Carlo simulations of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB): Pressure and temperature effects for the solid phase and vapor-liquid phase equilibria, J. Chem. Phys., 2008, 129, 19, 194510, https://doi.org/10.1063/1.3006054 . [all data]
Garza, R.G., A thermogravimetric study of TATB and two TATB-based explosives, Rpt. UCRL-82723, Lawrence Livermore National Laboratory, Livermore, CA, 1979, 1. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]
Rosen and Dickinson, 1969
Rosen, Jerome M.; Dickinson, Charles, Vapor pressures and heats of sublimation of some high-melting organic explosives, J. Chem. Eng. Data, 1969, 14, 1, 120-124, https://doi.org/10.1021/je60040a044 . [all data]
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
cH°solid Enthalpy of combustion of solid at standard conditions fH°solid Enthalpy of formation of solid at standard conditions subH Enthalpy of sublimation
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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