Hexahydro-1,3,5-trinitroso-1,3,5-triazine

• Formula: C₃H₆N₆O₃
• Molecular weight: 174.1181
• IUPAC Standard InChI: InChI=1S/C3H6N6O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H2 Copy

  
• IUPAC Standard InChIKey: HFWOSHMLDRSIDN-UHFFFAOYSA-N Copy
• CAS Registry Number: 13980-04-6
• 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: 1,3,5-Triazine, hexahydro-1,3,5-trinitroso-; s-Triazine, hexahydro-1,3,5-trinitroso-; Hexahydro-1,3,5-s-triazine; Hexahydro-1,3,5-trinitroso-s-triazine; 1,3,5-Trinitrosohexahydro-s-triazine; 1,3,5-Trinitroso-1,3,5-triazacyclohexane; Trinitrosotrimethylenetriamine; Trinitrosotrimethylentriamin; TTT; 1,3,5-Trinitroso-1,3,5-triazine, hexahydro-; N,N',N''-Trinitroso-1,3,5-hexahydrotriazine
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• Information on this page:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Phase change data
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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Gas phase thermochemistry data

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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

Condensed phase thermochemistry data

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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

Phase change data

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

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

References

Go To: Top, Gas phase thermochemistry data, 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.

Pepekin, Matyushin, et al., 1974
Pepekin, V.I.; Matyushin, Yu.N.; Lebedev, Yu.A., Thermochemistry of N-nitro- and N-nitrosoamines of the alicyclic series, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1974, 1707-1710. [all data]

Medard and Thomas, 1949
Medard, L.; Thomas, M., Determinations calorimetriques concernant dix-huit derives nitres ou nitrates organiques., Mem. Poudres, 1949, 29, 173-195. [all data]

Delepine and Badoche, 1942
Delepine, M.; Badoche, M., Thermochimie de l'aldehyde formique, de l'hexamethylene-tetramine et de ses derive, C. R. Acad. Sci. Paris, 1942, 214, 777-780. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Handrick, 1956
Handrick, G.R., Report of the study of pure explosive compounds. Part IV. Calculation of heat of combustion of organic compounds from structural features and calculation of power of high explosives, Rpt. C-58247 for the Office of the Chief of Ordnance, contract DA-19-020-ORD-47 by the Arthur D. Little, Inc., Cambridge, MA, 1956, 467-573. [all data]

Young, Keith, et al., 1956
Young, J.A.; Keith, J.E.; Stehle, P.; Dzombak, W.C.; Hunt, H., Heats of combustion of some organic nitrogen compounds, Ind. Eng. Chem., 1956, 48, 1375-1378. [all data]

Hall, 1971
Hall, P.G., Thermal decomposition and phase transition in solid nitramines, Trans. Faraday Soc., 1971, 67, 556-62. [all data]

Cundall, Frank Palmer, et al., 1978
Cundall, Robert B.; Frank Palmer, T.; Wood, Colin E.C., Vapour pressure measurements on some organic high explosives, J. Chem. Soc., Faraday Trans. 1, 1978, 74, 0, 1339, https://doi.org/10.1039/f19787401339 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Notes

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• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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