2-Butynal
- Formula: C4H4O
- Molecular weight: 68.0740
- IUPAC Standard InChIKey: REJPDMLLCDXIOV-UHFFFAOYSA-N
- CAS Registry Number: 1119-19-3
- 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: Tetrolaldehyde; But-2-ynal; CH3CCCHO; 1-Formyl-1-propyne; Methylacetyllealdehyde
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Gas phase ion energetics data
Go To: Top, Mass spectrum (electron ionization), 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
View reactions leading to C4H4O+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.28 | PE | Terlouw, Burgers, et al., 1979 | LLK |
10.25 ± 0.05 | EI | Holmes and Terlouw, 1979 | LLK |
10.20 | PE | Carlier and Mouvier, 1979 | Vertical value; LLK |
Mass spectrum (electron ionization)
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
Spectrum
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | A.Pleshkova, Nesmeyanov Inst.Org.Elem.Cpds, Moscow |
NIST MS number | 283673 |
References
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Terlouw, Burgers, et al., 1979
Terlouw, J.K.; Burgers, P.C.; Holmes, J.L.,
Thermochemistry and generation of vinylketene,
J. Am. Chem. Soc., 1979, 101, 225. [all data]
Holmes and Terlouw, 1979
Holmes, J.L.; Terlouw, J.K.,
Structures of [C4H4O]+ ions produced from 2- and 4-pyrone,
J. Am. Chem. Soc., 1979, 101, 4973. [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, Mass spectrum (electron ionization), References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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