- Formula: C6H3N3O6
- Molecular weight: 213.1045
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: UATJOMSPNYCXIX-UHFFFAOYSA-N
- CAS Registry Number: 99-35-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Benzene,1,3,5-trinitro-; s-Trinitrobenzene; syn-Trinitrobenzene; Trinitrobenzeen; Trinitrobenzene; Trinitrobenzol; TNB; Rcra waste number U234; NSC 36931; sym-Trinitrobenzene
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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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
|fH°solid||-37. ± 1.||kJ/mol||Ccb||Lebedeva, Ryadnenko, et al., 1971||Hfusion=4.0±0.1; ALS|
|cH°solid||-2753. ± 0.4||kJ/mol||Ccb||Lebedeva, Ryadnenko, et al., 1971||Hfusion=4.0±0.1; ALS|
|cH°solid||-2745.9 ± 2.8||kJ/mol||Ccb||Badoche, 1939||Reanalyzed by Cox and Pilcher, 1970, Original value = -2750.9 kJ/mol; ALS|
|cH°solid||-2746.8 ± 2.8||kJ/mol||Ccb||Burlot, 1939||Reanalyzed by Cox and Pilcher, 1970, Original value = -2763.0 kJ/mol; ALS|
|cH°solid||-2785.||kJ/mol||Ccb||Garner and Abernethy, 1921||ALS|
Constant pressure heat capacity of solid
|Cp,solid (J/mol*K)||Temperature (K)||Reference||Comment|
|214.6||298.15||Radomska and Radomski, 1980||T = 180 to 400 K. Data given graphically; Cp calculated from equation. Thermodynamically stable modification I.; DH|
|222.7||298.15||Radomska and Radomski, 1980||T = 180 to 380 K. Data given graphically; Cp calculated from equation. Metastable modification II.; DH|
Go To: Top, Condensed phase thermochemistry data, Notes
Lebedeva, Ryadnenko, et al., 1971
Lebedeva, N.D.; Ryadnenko, V.L.; Kuznetsova, I.N., Heats of combustion and enthalpies of formation of certain aromatic nitro-derivatives, Russ. J. Phys. Chem. (Engl. Transl.), 1971, 45, 549. [all data]
Badoche, M.M., Determinations des chaleurs de combustion de derives nitres de la serie benzenique, Bull. Soc. Chim. France, 1939, 6, 570-579. [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]
Burlot, E., Etude relative a la calorimetrie des explosifs, Mem. Poudres, 1939, 29, 226-260. [all data]
Garner and Abernethy, 1921
Garner, W.E.; Abernethy, C.L., Heats of combustion and formation of nitro-compounds. Part I. - Benzene, toluene, phenol and methylaniline series, Proc. Roy. Soc. London A, 1921, 213-235. [all data]
Radomska and Radomski, 1980
Radomska, M.; Radomski, R., Calorimetric studies of binary systems of 1,3,5-trinitrobenzene with naphthalene, anthracene, and carbazole. I. Phase transitions and heat capacities of the pure components and charge-transfer complexes, Thermochim. Acta, 1980, 40, 405-414. [all data]
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid cH°solid Enthalpy of combustion of solid at standard conditions fH°solid Enthalpy of formation of solid at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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