2H-1-Benzopyran, 2,2-dimethyl-
- Formula: C11H12O
- Molecular weight: 160.2124
- IUPAC Standard InChI: InChI=1S/C11H12O/c1-11(2)8-7-9-5-3-4-6-10(9)12-11/h3-8H,1-2H3
- IUPAC Standard InChIKey: SAXKWTPDZMBKSQ-UHFFFAOYSA-N
- CAS Registry Number: 2513-25-9
- 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: 2,2-Dimethylchromene; 2,2-Dimethylbenzopyran
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Gas phase ion energetics data
Go To: Top, 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 C11H12O+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.8 ± 0.1 | EI | Schaldach and Grutzmacher, 1979 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C10H9O+ | 8.8 ± 0.2 | CH3 | EI | Schaldach and Grutzmacher, 1979 | 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.
Schaldach and Grutzmacher, 1979
Schaldach, B.; Grutzmacher, H.F.,
Kinetics energy release and position of the transition state during the intramolecular substitution of ionized benzalacetones,
Int. J. Mass Spectrom. Ion Phys., 1979, 31, 271. [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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