2-Propynal
- Formula: C3H2O
- Molecular weight: 54.0474
- IUPAC Standard InChI: InChI=1S/C3H2O/c1-2-3-4/h1,3H
- IUPAC Standard InChIKey: IJNJLGFTSIAHEA-UHFFFAOYSA-N
- CAS Registry Number: 624-67-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Propyn-3-al; Propiolaldehye; Propargylaldehyde; Propioaldehyde; Propynal; Propiolaldehyde; 2-Propyn-1-one; Formylacetylene; Acetylenecarboxaldehyde
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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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.62 ± 0.15 | EI | Opitz, 1991 | LL |
| 10.8 | PE | Von Niessen, Bieri, et al., 1980 | LLK |
| 10.70 | PE | Carlier and Mouvier, 1979 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CO+ | 12.6 ± 0.2 | C2H | EI | Opitz, 1991 | LL |
| C2+ | 19.7 ± 0.2 | ? | EI | Opitz, 1991 | LL |
| C2H2+ | 11.49 ± 0.15 | ? | EI | Opitz, 1991 | LL |
| C3HO+ | 11.38 ± 0.15 | H | EI | Opitz, 1991 | LL |
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.
Opitz, 1991
Opitz, J.,
Photoionization of propynal in the gas phase,
Int. J. Mass Spectrom. Ion Processes, 1991, 107, 503. [all data]
Von Niessen, Bieri, et al., 1980
Von Niessen, W.; Bieri, G.; Asbrink, L.,
30.4 nm He(II) photoelectron spectra of organic molecules. Part III. Oxo-compounds (C,H,O),
J. Electron Spectrosc. Relat. Phenom., 1980, 21, 175. [all data]
Carlier and Mouvier, 1979
Carlier, P.; Mouvier, G.,
Etude par spectrometrie de photoelectrons de la structure electronique des ynals et des ynones conjugues,
J. Electron Spectrosc. Relat. Phenom., 1979, 17, 169. [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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