1-Penten-3-yne
- Formula: C5H6
- Molecular weight: 66.1011
- IUPAC Standard InChI: InChI=1S/C5H6/c1-3-5-4-2/h3H,1H2,2H3
- IUPAC Standard InChIKey: FILUFGAZMJGNEN-UHFFFAOYSA-N
- CAS Registry Number: 646-05-9
- 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: Methyl vinylacetylene; Pyrylen; Pyrylene; Vinylmethylacetylene; CH2=CHC≡CCH3; 1-Pentene-3-yne
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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 evaluated as indicated in comments:
L - Sharon G. Lias
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
View reactions leading to C5H6+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 9.00 ± 0.01 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.00 ± 0.01 | PE | Carlier, Mouvier, et al., 1979 | LLK |
| 8.1 | EI | Polyakova, Zimina, et al., 1960 | RDSH |
| 9.4 | EI | Polyakova, Zimina, et al., 1959 | RDSH |
| 9.1 ± 0.1 | PE | Bieri, Burger, et al., 1977 | Vertical value; LLK |
| 9.06 ± 0.03 | PE | Van Hoorn, 1975 | Vertical value; LLK |
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.
Carlier, Mouvier, et al., 1979
Carlier, P.; Mouvier, G.; Mesnard, D.; Miginiac, L.,
Etude par spectrometrie de photoelectrons de la structure electronique des phenyl-alcynes conjugues,
J. Electron Spectrosc. Relat. Phenom., 1979, 16, 147. [all data]
Polyakova, Zimina, et al., 1960
Polyakova, A.A.; Zimina, K.I.; Petrov, A.A.; Khmel'nitskii, R.A.,
Mass spectra of vinylalkylacetylenes,
Zh. Obshch. Khim., 1960, 30, 912, In original 927. [all data]
Polyakova, Zimina, et al., 1959
Polyakova, A.A.; Zimina, K.I.; Petrov, A.A.; Klmel'nitskii, R.A.,
Mass Spectra and the structure of vinylacetylenes,
Dokl. Phys. Chem., 1959, 127, 597, In original 386. [all data]
Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P.,
Valence ionization enrgies of hydrocarbons,
Helv. Chim. Acta, 1977, 60, 2213. [all data]
Van Hoorn, 1975
Van Hoorn, M.D.,
He(I) ionisation potentials and MO calculations of butenyne and the monomethyl-substituted butenynes,
J. Electron Spectrosc. Relat. Phenom., 1975, 6, 65. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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