3-Methylbenzyl radical
- Formula: C8H9
- Molecular weight: 105.1571
- IUPAC Standard InChI: InChI=1S/C8H9/c1-7-4-3-5-8(2)6-7/h3-6H,1H2,2H3
- IUPAC Standard InChIKey: GMRODCVDNXSFAA-UHFFFAOYSA-N
- CAS Registry Number: 2348-47-2
- 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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to C8H9+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 0.89 ± 0.15 | D-EA | Caldwell and Bartmess | value altered from reference due to change in acidity scale; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.12 ± 0.02 | PE | Hayashibara, Kruppa, et al., 1986 | LBLHLM |
| 7.65 ± 0.03 | EI | Harrison, Kebarle, et al., 1961 | RDSH |
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.
Caldwell and Bartmess
Caldwell, G.; Bartmess, J.E.,
, Unpublished results. [all data]
Hayashibara, Kruppa, et al., 1986
Hayashibara, K.; Kruppa, G.H.; Beauchamp, J.L.,
Photoelectron spectroscopy of the o-, m-, and p-methylbenzyl rRadicals. Implications for the thermochemistry of the radicals and ions,
J. Am. Chem. Soc., 1986, 108, 5441. [all data]
Harrison, Kebarle, et al., 1961
Harrison, A.G.; Kebarle, P.; Lossing, F.P.,
Free radicals by mass spectrometry. XXI. The ionization potentials of some meta and para substituted benzyl radicals,
J. Am. Chem. Soc., 1961, 83, 777. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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