Acetic acid, 4-nitrophenyl ester
- Formula: C8H7NO4
- Molecular weight: 181.1455
- IUPAC Standard InChI: InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3
- IUPAC Standard InChIKey: QAUUDNIGJSLPSX-UHFFFAOYSA-N
- CAS Registry Number: 830-03-5
- 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: Acetic acid, p-nitrophenyl ester; p-Nitrophenol acetate; p-Nitrophenyl acetate; 4-Nitrophenyl acetate; p-Acetoxynitrobenzene; p-Nitrobenzene acetate; Phenol, p-nitro-, acetate; NSC 2633
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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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 9.5 ± 0.2 | EI | Gamble, Gilbert, et al., 1971 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H3O+ | 10.9 ± 0.2 | ? | EI | Gamble, Gilbert, et al., 1971 | |
| C6H5NO3+ | 10.8 ± 0.2 | CH2=C=O | EI | Gamble, Gilbert, et al., 1971 |
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.
Gamble, Gilbert, et al., 1971
Gamble, A.A.; Gilbert, J.R.; Tillett, J.G.,
Substituent effects on the mass spectra of substituted phenyl acetates,
Org. Mass Spectrom., 1971, 5, 1093. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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