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 Copy

  
• IUPAC Standard InChIKey: JDFUJAMTCCQARF-UHFFFAOYSA-N Copy
• 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:
  • Phase change data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Mass spectrum (electron ionization)
• Options:
  • Switch to calorie-based units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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.

Phase change data

Go To: Top, 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

References

Go To: Top, Phase change data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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, Phase change data, References

• Symbols used in this document:
  

  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.