Benzoic acid, 3-nitro-
- Formula: C7H5NO4
- Molecular weight: 167.1189
- IUPAC Standard InChI: InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)
- IUPAC Standard InChIKey: AFPHTEQTJZKQAQ-UHFFFAOYSA-N
- CAS Registry Number: 121-92-6
- 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: Benzoic acid, m-nitro-; m-Nitrobenzoic acid; 3-Nitrobenzoic acid; m-Nitrobenzenecarboxylic acid; Metanitrobenzoic acid
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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 | -98.9 ± 0.1 | kcal/mol | Ccb | Lebedeva, Ryadnenko, et al., 1971 | Hfusion=4.6±0.3, see Lebedeva, Rjadnenko, et al., 1969; ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -730.2 ± 0.1 | kcal/mol | Ccb | Lebedeva, Ryadnenko, et al., 1971 | Hfusion=4.6±0.3, see Lebedeva, Rjadnenko, et al., 1969; ALS |
| ΔcH°solid | -729.742 | kcal/mol | Ccb | Verkade, 1926 | ALS |
Constant pressure heat capacity of solid
| Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 48.21 | 323. | Satoh and Sogabe, 1941 | T = 0 to 100 C. Mean value.; DH |
| 41.40 | 298. | Andrews, Lynn, et al., 1926 | T = 22 to 225 C.; DH |
| 43.00 | 297.9 | Andrews, 1926 | T = 110 to 344 K. Value is unsmoothed experimental datum.; 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]
Verkade, 1926
Verkade, P.E.,
Verbrandingswarmten van plaatsings-isomere benzol-derivaten en de theorie der geinduceerde alterneeren de polatiteit,
Verslag Akad. Wetenschappen Amsterdam, 1926, 35, 492-504. [all data]
Satoh and Sogabe, 1941
Satoh, S.; Sogabe, T.,
The heat capacities of some organic compounds containing nitrogen and the atomic heat of nitrogen. (1), Sci.,
Pap. Inst. Phys. Chem. Res. (Tokyo), 1941, 38, 197-203. [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]
Andrews, 1926
Andrews, D.H.,
The specific heats of some isomers of the type ortho, meta and para C6H4XY from 110 to 340K,
J. Am. Chem. Soc., 1926, 48, 1287-1298. [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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