4-Tert-butylphenyl propargyl ether
- Formula: C13H16O
- Molecular weight: 188.2655
- IUPAC Standard InChI: InChI=1S/C13H16O/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h1,6-9H,10H2,2-4H3
- IUPAC Standard InChIKey: LCKMFILTJDWOQW-UHFFFAOYSA-N
- CAS Registry Number: 48144-15-6
- 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: Benzene, 1-(1,1-dimethylethyl)-4-(2-propynyloxy)-
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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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.85 ± 0.02 | EI | Orlov, Misharev, et al., 1986 | LBLHLM |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C12H13O+ | 9.6 ± 0.1 | CH3 | EI | Orlov, Misharev, et al., 1986 | LBLHLM |
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.
Orlov, Misharev, et al., 1986
Orlov, V.; Misharev, A.; Takhistox, V.,
Determination of the enthalpy of formation of para-substituted α,α-dimethyl cations in the gas phase,
Izv. Akad. Nauk SSSR Ser. Khim., 1986, 9, 2006. [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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