Acedoben
- Formula: C9H9NO3
- Molecular weight: 179.1727
- IUPAC Standard InChI: InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
- IUPAC Standard InChIKey: QCXJEYYXVJIFCE-UHFFFAOYSA-N
- CAS Registry Number: 556-08-1
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Other names: Benzoic acid, 4-(acetylamino)-; Benzoic acid, p-acetamido-; p-Acetamidobenzoic acid; p-Acetoaminobenzoic acid; p-Acetylaminobenzoic acid; N-Acetyl-p-aminobenzoic acid; 4-Acetamidobenzoic acid; 4-Acetylaminobenzoic acid; 4-Carboxyacetanilide; 4'-Carboxyacetanilide; p-Acetaminobenzoic acid; p-Acetaminophenylcarboxylic acid; PAAB; p-Carboxyacetanilide; Benzoic acid, 4-acetamido-; N-(4-Carboxyphenyl)acetic acid amide; NSC 4002
- Information on this page:
- Other data available:
- Options:
Gas phase ion energetics data
Go To: Top, Gas Chromatography, 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: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.7 ± 0.2 | EI | Gamble, Gilbert, et al., 1970 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H7NO2+ | 10.6 ± 0.2 | ? | EI | Gamble, Gilbert, et al., 1970 |
Gas Chromatography
Go To: Top, Gas phase ion energetics 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 2008. | Todua, 2011 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, 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., 1970
Gamble, A.A.; Gilbert, J.R.; Tillett, J.G.,
Substituent effects in the fragmentation of acetanilides,,
J. Chem. Soc. B, 1970, 1231. [all data]
Todua, 2011
Todua, N.G.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2011. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.