2,4,6-Trinitroresorcinol
- Formula: C6H3N3O8
- Molecular weight: 245.1033
- IUPAC Standard InChI: InChI=1S/C6H3N3O8/c10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h1,10-11H
- IUPAC Standard InChIKey: IXHMHWIBCIYOAZ-UHFFFAOYSA-N
- CAS Registry Number: 82-71-3
- 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-Benzenediol, 2,4,6-trinitro-; Styphnic acid; Resorcinol, 2,4,6-trinitro-; 2,4-Dihydroxy-1,3,5-trinitrobenzene; 2,4,6-Trinitro-1,3-benzenediol; 1,3-Dihydroxy-2,4,6-trinitrobenzene; 3-Hydroxy-2,4,6-trinitrophenol; NSC 36932
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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 | -111.7 ± 1.6 | kcal/mol | Ccb | Finch and Payne, 1990 | |
| ΔfH°solid | -103.5 | kcal/mol | Ccb | Medard and Thomas, 1949 | Author's hf298_condensed=-106.2 kcal/mol |
| ΔfH°solid | -129.76 | kcal/mol | Ccb | Rinkenbach, 1930 | Author hf298_condensed[kcal/mol]=-131.98 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -555.0 ± 1.6 | kcal/mol | Ccb | Finch and Payne, 1990 | |
| ΔcH°solid | -563.32 | kcal/mol | Ccb | Medard and Thomas, 1949 | Author's hf298_condensed=-106.2 kcal/mol |
| ΔcH°solid | -537.019 | kcal/mol | Ccb | Rinkenbach, 1930 | Author hf298_condensed[kcal/mol]=-131.98 |
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.
Finch and Payne, 1990
Finch, A.; Payne, J.,
Thermochemistry of nitroresorcinols. I. 2,4,6-trinitroresorcinol (styphnic acid),
Thermochim. Acta, 1990, 170, 209-212. [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]
Rinkenbach, 1930
Rinkenbach, W.H.,
The heats of combustion and formation of aromatic nitro compounds,
J. Am. Chem. Soc., 1930, 52, 115-120. [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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