- Formula: C7H7NO3
- Molecular weight: 153.1354
- IUPAC Standard InChI:
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- 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
- 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
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:
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
|1.04 ± 0.10||IMRE||Chowdhury, Heinis, et al., 1986||«DELTA»Gea(423 K) = -23.4 kcal/mol; «DELTA»Sea (estimated) = -1.7 eu.; B|
Ionization energy determinations
|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|
Go To: Top, Gas phase ion energetics data, Notes
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, 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]
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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