Phenyl-t-butylacetylene
- Formula: C12H14
- Molecular weight: 158.2396
- IUPAC Standard InChI: InChI=1S/C12H14/c1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,1-3H3
- IUPAC Standard InChIKey: FASNPPWZLHQZAJ-UHFFFAOYSA-N
- CAS Registry Number: 4250-82-2
- Chemical structure:
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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
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.23 | PI | Orlov, Boganov, et al., 1985 | LBLHLM |
| 8.32 ± 0.08 | PE | Elbel, Lienert, et al., 1981 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C11H11+ | 8.74 | CH3 | PI | Orlov, Boganov, et al., 1985 | LBLHLM |
| C11H11+ | 8.74 ± 0.05 | CH3 | PI | Takhistov, Khlebnikova, et al., 1980 | 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.
Orlov, Boganov, et al., 1985
Orlov, V.M.; Boganov, A.M.; Siretskaya, T.V.; Takhistov, V.V.,
Thermochemical characteristics of the molecular and fragmentation ions of substituted tert-butylacetylenes,
Izv. Akad. Nauk SSSR Ser. Khim., 1985, 12, 2795. [all data]
Elbel, Lienert, et al., 1981
Elbel, S.; Lienert, K.; Krebs, A.; tom Dieck, H.,
Phenylethin - mustersonde fur substituenteneffekte,
Liebigs Ann. Chem., 1981, 1785. [all data]
Takhistov, Khlebnikova, et al., 1980
Takhistov, V.; Khlebnikova, N.; Orlov, V.,
Photoionization study of energetic properties of cations formed with fragmentation of substituted acetylenes containing elements of IV B group,
Org. React. Tartu, 1980, 17, 449. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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