1,3-Cyclobutanedione, 2,2,4,4-tetramethyl-
- Formula: C8H12O2
- Molecular weight: 140.1797
- IUPAC Standard InChI: InChI=1S/C8H12O2/c1-7(2)5(9)8(3,4)6(7)10/h1-4H3
- IUPAC Standard InChIKey: RGCDVHNITQEYPO-UHFFFAOYSA-N
- CAS Registry Number: 933-52-8
- 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: Tetramethyl-1,3-cyclobutanedione; Tetramethylcyclobuta-1,3-dione; 1,1,3,3-Tetramethylcyclobutanedione; 2,2,4,4-Tetramethyl-1,3-cyclobutanedione; 2,2,4,4-Tetramethylcyclobutanedione; 2,2,4,4-Tetramethyl cyclobutane-1,3-dione; tetramethylcyclobutane-1,3-dione
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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 |
|---|---|---|---|
| 9.0 ± 0.02 | EI | Olivares, Flesch, et al., 1984 | LBLHLM |
| 8.80 | PE | Dougherty, Brint, et al., 1978 | Vertical value; LLK |
| 8.80 | PE | Cowan, Gleiter, et al., 1971 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C7H12O+ | 9.6 ± 0.03 | CO | EI | Olivares, Flesch, et al., 1984 | 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.
Olivares, Flesch, et al., 1984
Olivares, J.A.; Flesch, G.D.; Svec, H.J.,
Mass spectrometry of five ketene dimers,
Int. J. Mass Spectrom. Ion Processes, 1984, 56, 293. [all data]
Dougherty, Brint, et al., 1978
Dougherty, D.; Brint, P.; McGlynn, S.P.,
Photoelectron spectroscopy of carbonyls. Lone-pair interactions in α-, β-, γ δ-dicarbonyls,
J. Am. Chem. Soc., 1978, 100, 5597. [all data]
Cowan, Gleiter, et al., 1971
Cowan, D.O.; Gleiter, R.; Hashmall, J.A.; Heilbronner, E.; Hornung, V.,
Interaction between the orbitals of lone pair electrons in dicarbonyl compounds,
Angew. Chem. Int. Ed. Engl., 1971, 10, 401. [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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