Neopentyl radical
- Formula: C5H11
- Molecular weight: 71.1408
- IUPAC Standard InChIKey: GJWHXWMUGWZNTO-UHFFFAOYSA-N
- CAS Registry Number: 3744-21-6
- 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. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
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:
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
B - John E. Bartmess
View reactions leading to C5H11+ (ion structure unspecified)
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
0.23 ± 0.12 | D-EA | DePuy, Gronert, et al., 1989 | B |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.88 ± 0.05 | PE | Schultz, Houle, et al., 1984 | LBLHLM |
7.91 | EI | Lossing and Maccoll, 1976 | LLK |
8.3 ± 0.1 | EI | Taubert and Lossing, 1962 | RDSH |
8.25 ± 0.03 | PE | Schultz, Houle, et al., 1984 | Vertical value; 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.
DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R.,
The Gas Phase Acidities of the Alkanes,
J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003
. [all data]
Schultz, Houle, et al., 1984
Schultz, J.C.; Houle, F.A.; Beauchamp, J.L.,
Photoelectron spectroscopy of 1-propyl, 1-butyl, isobutyl, neopentyl and 2-butyl radicals: Free radical precursors to high energy carbonium ion isomers,
J. Am. Chem. Soc., 1984, 106, 3917. [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
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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.