- Formula: C7H7NO2
- Molecular weight: 137.1360
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: VLZLOWPYUQHHCG-UHFFFAOYSA-N
- CAS Registry Number: 622-42-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Toluene, «alpha»-nitro-; «alpha»-Nitrotoluene; (Nitromethyl)benzene; Nitrophenylmethane; Phenylnitromethane
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Gas phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|fH°gas||30.7 ± 2.8||kJ/mol||Ccb||Pepekin, Lebedev, et al., 1969||Reanalyzed by Cox and Pilcher, 1970, Original value = 33. ± 4. kJ/mol; Author's hf298_condensed=6.1±0.6|
Go To: Top, Gas phase thermochemistry data, Notes
Pepekin, Lebedev, et al., 1969
Pepekin, V.I.; Lebedev, Yu.A.; Fainzil'berg, A.A.; Rozantsev, G.G.; Apin, A.Ya., Dissociation energy of the carbon-nitrogen bond in phenylnitromethane, Russ. J. Phys. Chem. (Engl. Transl.), 1969, 43, 1454-1455. [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]
Go To: Top, Gas phase thermochemistry data, References
- Symbols used in this document:
fH°gas Enthalpy of formation of gas at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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