Benzene, 1-methoxy-3-nitro-
- Formula: C7H7NO3
- Molecular weight: 153.1354
- IUPAC Standard InChI: InChI=1S/C7H7NO3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
- IUPAC Standard InChIKey: WGYFINWERLNPHR-UHFFFAOYSA-N
- CAS Registry Number: 555-03-3
- 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: Anisole, m-nitro-; m-Methoxynitrobenzene; m-Nitroanisole; 1-Methoxy-3-nitrobenzene; 3-Methoxynitrobenzene; 3-Nitroanisole; Methyl m-nitrophenyl ether; NSC 4956
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Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.04 ± 0.10 | IMRE | Chowdhury, Heinis, et al., 1986 | ΔGea(423 K) = -23.4 kcal/mol; ΔSea (estimated) = -1.7 eu.; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.7 | PE | Kobayashi and Nagakura, 1975 | LLK |
| 9.1 ± 0.1 | EI | Brown, 1970 | RDSH |
| 9.01 | PE | Kobayashi and Nagakura, 1975 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H7O+ | 11.4 ± 0.1 | NO2 | EI | Brown, 1970 | RDSH |
| C7H7O2+ | 9.4 ± 0.1 | NO | EI | Brown, 1970 | RDSH |
References
Go To: Top, 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.
Chowdhury, Heinis, et al., 1986
Chowdhury, S.; Heinis, T.; Grimsrud, E.P.; Kebarle, P.,
Entropy Changes and Electron Affinities from Gas-Phase Electron Transfer Equilibria: A- + B = A + B-,
J. Phys. Chem., 1986, 90, 12, 2747, https://doi.org/10.1021/j100403a037
. [all data]
Kobayashi and Nagakura, 1975
Kobayashi, T.; Nagakura, S.,
Photoelectron spectra of nitrophenols and nitroanisoles,
J. Electron Spectrosc. Relat. Phenom., 1975, 6, 421. [all data]
Brown, 1970
Brown, P.,
Kinetic studies in mass spectrometry. IX. Competing [M-NO2] and [M-NO] reactions in substituted nitrobenzenes. Approximate activation energies from ionization and appearance potentials,
Org. Mass Spectrom., 1970, 4, 533. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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