2-Octyne
- Formula: C8H14
- Molecular weight: 110.1968
- IUPAC Standard InChI: InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,5,7-8H2,1-2H3
- IUPAC Standard InChIKey: QCQALVMFTWRCFI-UHFFFAOYSA-N
- CAS Registry Number: 2809-67-8
- 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: n-C5H11C≡CCH3; oct-2-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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 9.31 ± 0.01 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.31 ± 0.02 | PI | Rang and Martinson, 1978 | LLK |
| 9.302 ± 0.005 | PE | Carlier, Dubois, et al., 1975 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H9+ | 9.4 | C2H5 | EI | Wagner-Redeker, Levsen, et al., 1981 | LLK |
| C7H11+ | 9.5 | CH3 | EI | Wagner-Redeker, Levsen, et al., 1981 | 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.
Rang and Martinson, 1978
Rang, S.; Martinson, E.,
Ionization potentials of unsaturated hydrocarbons. 3. n-Alkyunes C8-C12.,
Eesti. NSV Tead. Akad. Toim. Keem., 1978, 44. [all data]
Carlier, Dubois, et al., 1975
Carlier, P.; Dubois, J.E.; Masclet, P.; Mouvier, G.,
Spectres de photoelectrons des alcynes,
J. Electron Spectrosc. Relat. Phenom., 1975, 7, 55. [all data]
Wagner-Redeker, Levsen, et al., 1981
Wagner-Redeker, W.; Levsen, K.; Schwarz, H.; Zummack, W.,
Gaseous alkyne ions,
J. Am. Chem. Soc., 1981, 16, 361. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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