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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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 376. | K | N/A | Hall, 1971 | Crystal phase 1 phase; Uncertainty assigned by TRC = 1. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 134.3 ± 0.7 | kJ/mol | ME | Cundall, Frank Palmer, et al., 1978 | Based on data from 343. - 447. K.; AC |
| ΔsubH° | 113. | kJ/mol | V | Pepekin, Matyushin, et al., 1974 | ALS |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 112.1 | 383. - 411. | ME | Pepekin, Matyushin, et al., 1974 | AC |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 3.77 | 376. | Domalski and Hearing, 1996 | AC |
Entropy of fusion
| ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 48.45 | 367. | Domalski and Hearing, 1996 | CAL |
| 10.02 | 376. |
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.
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]
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]
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
Go To: Top, Phase change data, References
- Symbols used in this document:
Tfus Fusion (melting) point 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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