1-Ethyl-3-nitrobenzene
- Formula: C8H9NO2
- Molecular weight: 151.1626
- IUPAC Standard InChI: InChI=1S/C8H9NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6H,2H2,1H3
- IUPAC Standard InChIKey: RXAKLPGKSXJZEF-UHFFFAOYSA-N
- CAS Registry Number: 7369-50-8
- 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, 1-ethyl-3-nitro-; Nitrobenzene, 3-ethyl-
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Phase change 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 515.7 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 514.15 | K | N/A | Levi and Nicholls, 1958 | Uncertainty assigned by TRC = 2. K; TRC |
Gas phase ion energetics data
Go To: Top, Phase change data, 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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.64 ± 0.03 | EI | Baldwin, Carter, et al., 1982 | LBLHLM |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Levi and Nicholls, 1958
Levi, L.; Nicholls, R.V.V.,
Formation of Styrene by Pyrolysis of Aromatic Heterocyclic Aldehyde- Aliphatic Acid Anhydride Mixtures on Morden Bentonite,
Ind. Eng. Chem., 1958, 50, 1005. [all data]
Baldwin, Carter, et al., 1982
Baldwin, M.A.; Carter, D.M.; Gilmore, J.,
Loss of hydroxyl radical from isomeric ethylnitrobenzenes,
Org. Mass Spectrom., 1982, 17, 45. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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