Benzene, 1,4-dinitro-
- Formula: C6H4N2O4
- Molecular weight: 168.1070
- IUPAC Standard InChI: InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
- IUPAC Standard InChIKey: FYFDQJRXFWGIBS-UHFFFAOYSA-N
- CAS Registry Number: 100-25-4
- 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: Benzene, p-dinitro-; p-Dinitrobenzene; 1,4-Dinitrobenzene; para-Dinitrobenzene; Dithane a-4; UN 1597
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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -38. ± 0.4 | kJ/mol | Ccb | Lebedeva, Ryadnenko, et al., 1971 | Hfusion=8.0±0.3, see Lebedeva, Rjadnenko, et al., 1969; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -2894. ± 0.4 | kJ/mol | Ccb | Lebedeva, Ryadnenko, et al., 1971 | Hfusion=8.0±0.3, see Lebedeva, Rjadnenko, et al., 1969; ALS |
| ΔcH°solid | -2902. | kJ/mol | Ccb | Garner and Abernethy, 1921 | ALS |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 167. | 325. | David, 1964 | T = 298 to 373 K. Mean value. T = uncertain.; DH |
| 200.0 | 298.15 | Ueberreiter and Orthmann, 1950 | T = 293 to 368 K. Equation only.; DH |
| 192.0 | 298. | Andrews, Lynn, et al., 1926 | T = 22 to 210°C.; DH |
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.
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]
Lebedeva, Rjadnenko, et al., 1969
Lebedeva, N.D.; Rjadnenko, B.L.; Gutner, N.M.,
Heats of formation of some N-containing organic compounds,
Int. Conf. Calorim. Therm. (Warsaw, Poland), 1969, 1-8. [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]
David, 1964
David, D.J.,
Determination of specific heat and heat of fusion by differential thermal analysis. Study of theory and operating parameters,
Anal. Chem., 1964, 36, 2162-2166. [all data]
Ueberreiter and Orthmann, 1950
Ueberreiter, K.; Orthmann, H.-J.,
Specifische Wärme, spezifisches Volumen, Temperatur- und Wärme-leittähigkeit einiger disubstituierter Benzole und polycyclischer Systeme,
Z. Natursforsch. 5a, 1950, 101-108. [all data]
Andrews, Lynn, et al., 1926
Andrews, D.H.; Lynn, G.; Johnston, J.,
The heat capacities and heat of crystallization of some isomeric aromatic compounds,
J. Am. Chem. Soc., 1926, 48, 1274-1287. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, 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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