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
- IUPAC Standard InChIKey: HFWOSHMLDRSIDN-UHFFFAOYSA-N
- 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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Condensed phase thermochemistry 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 68.3 | kcal/mol | Ccb | Medard and Thomas, 1949 | Author's hf298_condensed=66.8 kcal/mol |
| ΔfH°solid | 68.32 ± 0.56 | kcal/mol | Ccb | Delepine and Badoche, 1942 | Reanalyzed by Cox and Pilcher, 1970, Original value = 69.1 kcal/mol; Author's hf298_condensed=68.0 kcal/mol |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -553.5 | kcal/mol | Ccb | Handrick, 1956 | |
| ΔcH°solid | -552.90 ± 0.50 | kcal/mol | Ccb | Young, Keith, et al., 1956 | Reanalyzed by Cox and Pilcher, 1970, Original value = -555.3 ± 0.5 kcal/mol |
| ΔcH°solid | -555.43 | kcal/mol | Ccb | Medard and Thomas, 1949 | Author's hf298_condensed=66.8 kcal/mol |
| ΔcH°solid | -555.42 ± 0.56 | kcal/mol | Ccb | Delepine and Badoche, 1942 | Reanalyzed by Cox and Pilcher, 1970, Original value = -556.2 kcal/mol; Author's hf298_condensed=68.0 kcal/mol |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Notes
Go To: Top, Condensed phase thermochemistry 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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