Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

1,3,5-Benzenetriamine, 2,4,6-trinitro-

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, Mass spectrum (electron ionization), 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
Deltafsolid-17.85 ± 0.71kcal/molCcbBaroody and Peters, 1987 
Deltafsolid-33.4 ± 1.2kcal/molCcbRouse, 1976 
Deltafsolid-36.9kcal/molCcbFedoroff and Shefield, 1975 
Quantity Value Units Method Reference Comment
Deltacsolid-735.9 ± 0.5kcal/molCcbRouse, 1976 

Phase change data

Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), 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

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
40.2423.N/ARai, Bhatt, et al., 2008See also Garza, 1979.
40.20417.LEStephenson and Malanowski, 1987Based 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 compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Mass spectrum
For Zoom
1.) Enter the desired X axis range (e.g., 100, 200)
2.) Check here for automatic Y scaling
3.) Press here to zoom

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

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

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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, Mass spectrum (electron ionization), References