n-Propyl radical
- Formula: C3H7
- Molecular weight: 43.0877
- IUPAC Standard InChI: InChI=1S/C3H7/c1-3-2/h1,3H2,2H3
- IUPAC Standard InChIKey: OCBFFGCSTGGPSQ-UHFFFAOYSA-N
- CAS Registry Number: 2143-61-5
- 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 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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
View reactions leading to C3H7+ (ion structure unspecified)
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| -0.07 ± 0.12 | D-EA | DePuy, Gronert, et al., 1989 | B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.09 ± 0.01 | PE | Dyke, Ellis, et al., 1985 | LBLHLM |
| 8.15 ± 0.02 | PE | Schultz, Houle, et al., 1984 | LBLHLM |
| 8.10 ± 0.05 | EI | Lossing and Semeluk, 1970 | RDSH |
| 8.13 ± 0.05 | EI | Williams and Hamill, 1968 | RDSH |
| 8.2 ± 0.1 | EI | Melton and Hamill, 1964 | RDSH |
| ≤8.1 | PI | Elder, Giese, et al., 1962 | RDSH |
| 8.35 ± 0.01 | PE | Dyke, Ellis, et al., 1985 | Vertical value; LBLHLM |
| 8.43 ± 0.02 | 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]
Dyke, Ellis, et al., 1985
Dyke, J.; Ellis, A.; Jonathan, N.; Morris, A.,
Vacuum ultraviolet photoelectron spectroscopy of transient species. Part 18. The cyclopropyl, isopropyl, an n-propyl radicals,
J. Chem. Soc. Faraday Trans. 2, 1985, 81, 1573. [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 Semeluk, 1970
Lossing, F.P.; Semeluk, G.P.,
Free radicals by mass spectrometry. XLII.Ionization potentials and ionic heats of formation for C1-C4 alkyl radicals,
Can. J. Chem., 1970, 48, 955. [all data]
Williams and Hamill, 1968
Williams, J.M.; Hamill, W.H.,
Ionization potentials of molecules and free radicals and appearance potentials by electron impact in the mass spectrometer,
J. Chem. Phys., 1968, 49, 4467. [all data]
Melton and Hamill, 1964
Melton, C.E.; Hamill, W.H.,
Ionization potentials of alkyl free radicals and of benzene, toluene, and triethylamine by the RPD technique,
J. Chem. Phys., 1964, 41, 3464. [all data]
Elder, Giese, et al., 1962
Elder, F.A.; Giese, C.; Steiner, B.; Inghram, M.,
Photo-ionization of alkyl free radicals,
J. Chem. Phys., 1962, 36, 3292. [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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