1,3,5-Benzenetriamine, 2,4,6-trinitro-
- Formula: C6H6N6O6
- Molecular weight: 258.1484
- IUPAC Standard InChI: InChI=1S/C6H6N6O6/c7-1-4(10(13)14)2(8)6(12(17)18)3(9)5(1)11(15)16/h7-9H2
- 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
The 3d structure may be viewed using Java or Javascript. - 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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Condensed phase thermochemistry data
Go To: Top, Phase change data, References, Notes
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 |
|---|---|---|---|---|---|
| ΔfH°solid | -17.85 ± 0.71 | kcal/mol | Ccb | Baroody and Peters, 1987 | |
| ΔfH°solid | -33.4 ± 1.2 | kcal/mol | Ccb | Rouse, 1976 | |
| ΔfH°solid | -36.9 | kcal/mol | Ccb | Fedoroff and Shefield, 1975 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -735.9 ± 0.5 | kcal/mol | Ccb | Rouse, 1976 |
Phase change data
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: William E. Acree, Jr., James S. Chickos
Enthalpy of sublimation
| ΔsubH (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. to 451. K. See also Rosen and Dickinson, 1969. |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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, 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]
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, 1979
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]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.