Cyclonite
- Formula: C3H6N6O6
- Molecular weight: 222.1163
- IUPAC Standard InChI: InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2
- IUPAC Standard InChIKey: XTFIVUDBNACUBN-UHFFFAOYSA-N
- CAS Registry Number: 121-82-4
- 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-trinitro-; RDX; s-Triazine, hexahydro-1,3,5-trinitro-; Cyclonit; Cyclotrimethylenenitramine; Cyclotrimethylenetrinitramine; Geksogen; Hexahydro-1,3,5-trinitro-s-triazine; Hexahydro-1,3,5-trinitro-1,3,5-triazine; Hexogen; Hexogen 5W; PBX(AF) 108; Trimethylenetrinitramine; T4; 1,3,5-Triaza-1,3,5-Trinitrocyclohexane; 1,3,5-Trinitro-1,3,5-triazacyclohexane; 1,3,5-Trinitrohexahydro-s-triazine; 1,3,5-Trinitrohexahydro-1,3,5-triazine; 1,3,5-Trinitroperhydro-1,3,5-triazine; sym-Trimethylenetrinitramine; Esaidro-1,3,5-trinitro-1,3,5-triazina; Heksogen; Hexahydro-1,3,5-trinitro-1,3,5-triazin; Hexogeen; Hexogen (explosive); Hexolite; Trimethyleentrinitramine; Trinitrocyclotrimethylene triamine; Cyklonit; PBXW 108(E); UN 0072; 1,3,5-Triazacyclohexane 1,3,5-trinitro-; CX 84A; NSC 312447; PE 4; perhydro-1,3,5-trinitro-1,3,5-triazine
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Condensed phase thermochemistry data
Go To: Top, Gas Chromatography, References, Notes
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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 18.9 ± 1.2 | kcal/mol | Ccb | Krien, Licht, et al., 1973 | Author's hf298_condensed=17. kcal/mol; ALS |
| ΔfH°solid | 14.7 | kcal/mol | Ccb | Handrick, 1956 | Naval Ordnance Laboratory, 1951; ALS |
| ΔfH°solid | 15.90 ± 0.50 | kcal/mol | Ccb | Delepine and Badoche, 1942 | Reanalyzed by Cox and Pilcher, 1970, Original value = 16.8 kcal/mol; Author's hf298_condensed=15.7 kcal/mol; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -506. ± 1.2 | kcal/mol | Ccb | Krien, Licht, et al., 1973 | Author's hf298_condensed=17. kcal/mol; ALS |
| ΔcH°solid | -501.8 | kcal/mol | Ccb | Handrick, 1956 | Naval Ordnance Laboratory, 1951; ALS |
| ΔcH°solid | -500.00 ± 0.50 | kcal/mol | Ccb | Young, Keith, et al., 1956 | Reanalyzed by Cox and Pilcher, 1970, Original value = -503.4 kcal/mol; ALS |
| ΔcH°solid | -503.00 ± 0.50 | kcal/mol | Ccb | Delepine and Badoche, 1942 | Reanalyzed by Cox and Pilcher, 1970, Original value = -503.9 kcal/mol; Author's hf298_condensed=15.7 kcal/mol; ALS |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 59.49 | 298. | Krien, Licht, et al., 1973 | T = 200 to 475 K. Equation only.; DH |
Gas Chromatography
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-5 | 140. | 1859.01 | Hobbs and Conde, 1992 | 30. m/0.25 mm/0.25 μm |
| Capillary | DB-5 | 140. | 1891.47 | Hobbs and Conde, 1992 | 30. m/0.25 mm/0.25 μm |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 1870. | Staples, 2005 | Column diameter: 0.25 mm; Program: not specified |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1914.09 | Hobbs and Conde, 1992 | 30. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 40. C; Tend: 300. C |
| Capillary | DB-5 | 1914.76 | Hobbs and Conde, 1992 | 30. m/0.25 mm/0.25 μm, 5. K/min; Tstart: 40. C; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1870. | Staples, 2004 | He; Program: not specified |
| Capillary | DB-5 | 1870. | Staples, 2004 | He; Program: not specified |
References
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Krien, Licht, et al., 1973
Krien, G.; Licht, H.H.; Zierath, J.,
Thermochemical investigation of nitramines,
Thermochim. Acta, 1973, 6, 465-472. [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]
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]
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]
Hobbs and Conde, 1992
Hobbs, J.R.; Conde, E.P.,
Gas chromatographic retention indices of explosives and nitro-compounds
in Advances in Analysis and Detection of Explosives: Proceedings of the 4th International Symposium on Analysis of Detection of Explosives, September 7-10, 1992, Jerusalem Israel, J. Yinon, ed(s)., Kluwer Academic Publishers, Netherlands, 1992, 153-164. [all data]
Staples, 2005
Staples, E.J.,
Ultrahigh-speed chromatography and virtual chemical sensors for detecting explosives and chemical warfare agents,
IEEE Sens. J., 2005, 5, 4, 622-631, https://doi.org/10.1109/JSEN.2005.850990
. [all data]
Staples, 2004
Staples, E.J.,
Analysis of odors from explosives using an electronic nose, 2004, retrieved from http://www.estcal.com/TechPapers/OdorsofExplosives.doc. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid 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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