2-Methylbut-2-yl radical
- Formula: C5H11
- Molecular weight: 71.1408
- IUPAC Standard InChI: InChI=1S/C5H11/c1-4-5(2)3/h4H2,1-3H3
- IUPAC Standard InChIKey: CGERYHYIVJQVLJ-UHFFFAOYSA-N
- CAS Registry Number: 4348-35-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Gas phase thermochemistry 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.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 6.7 ± 0.7 | kcal/mol | N/A | Tsang, 1996 |
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C5H11+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 6.65 ± 0.04 | PE | Kruppa and Beauchamp, 1986 | LBLHLM |
| 6.85 | EI | Lossing and Maccoll, 1976 | LLK |
| 7.1 ± 0.1 | EI | Taubert and Lossing, 1962 | RDSH |
| 6.91 ± 0.05 | PE | Kruppa and Beauchamp, 1986 | Vertical value; LBLHLM |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tsang, 1996
Tsang, W.,
Heats of Formation of Organic Free Radicals by Kinetic Methods
in Energetics of Organic Free Radicals, Martinho Simoes, J.A.; Greenberg, A.; Liebman, J.F., eds., Blackie Academic and Professional, London, 1996, 22-58. [all data]
Kruppa and Beauchamp, 1986
Kruppa, G.H.; Beauchamp, J.L.,
Energetics and structure of the 1- and 2-adamantyl radicals and their corresponding carbonium ions by photoelectron spectroscopy,
J. Am. Chem. Soc., 1986, 108, 2162. [all data]
Lossing and Maccoll, 1976
Lossing, F.P.; Maccoll, A.,
Free radicals by mass spectrometry, XLVII. Ionization potentials ionic and heats of formation of C5-C7 alkyl radicals,
Can. J. Chem., 1976, 54, 990. [all data]
Taubert and Lossing, 1962
Taubert, R.; Lossing, F.P.,
Free radicals by mass spectrometry. XXVII. Ionization potentials of four pentyl radicals,
J. Am. Chem. Soc., 1962, 84, 1523. [all data]
Notes
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- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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