Benzene, 1-ethyl-4-nitro-
- Formula: C8H9NO2
- Molecular weight: 151.1626
- IUPAC Standard InChI: InChI=1S/C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3
- IUPAC Standard InChIKey: RESTWAHJFMZUIZ-UHFFFAOYSA-N
- CAS Registry Number: 100-12-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: p-Ethylnitrobenzene; p-Nitroethylbenzene; p-Nitrophenylethane; 1-Ethyl-4-nitrobenzene; 4-Ethylnitrobenzene; 4-Nitroethylbenzene
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Condensed 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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -55.31 | kJ/mol | Ccb | Medard and Thomas, 1957 | Heat of combustion corrected for pressure |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -4379.02 | kJ/mol | Ccb | Medard and Thomas, 1957 | Heat of combustion corrected for pressure |
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
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 518.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 59.4 | 368. | A | Stephenson and Malanowski, 1987 | Based on data from 353. to 433. K.; AC |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, 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 by: 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 |
|---|---|---|
| 9.71 ± 0.03 | EI | Baldwin, Carter, et al., 1982 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Medard and Thomas, 1957
Medard, L.; Thomas, M.,
Chaleur de combustion de onze substances explosives ou apparentees a des explosifs,
Mem. Poudres, 1957, 39, 195-208. [all data]
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]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [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, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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