Isopropyl radical
- Formula: C3H7
- Molecular weight: 43.0877
- IUPAC Standard InChI: InChI=1S/C3H7/c1-3-2/h3H,1-2H3
- IUPAC Standard InChIKey: HNUALPPJLMYHDK-UHFFFAOYSA-N
- CAS Registry Number: 2025-55-0
- 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 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
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 C3H7+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 160.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 152.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH°(+) ion | 191.5 ± 0.9 | kcal/mol | N/A | N/A | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔfH(+) ion,0K | 195.6 ± 0.9 | kcal/mol | N/A | N/A |
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| -0.320 ± 0.092 | D-EA | DePuy, Gronert, et al., 1989 | B |
| 0.68949 | SI | Page and Goode, 1969 | The Magnetron method, lacking mass analysis, is not considered reliable.; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.37 ± 0.02 | PE | Dyke, Ellis, et al., 1985 | LBLHLM |
| 7.36 ± 0.02 | PE | Houle and Beauchamp, 1979 | LLK |
| 7.55 | PE | Aue and Bowers, 1979 | LLK |
| 7.55 ± 0.05 | EI | Lossing and Semeluk, 1970 | RDSH |
| 7.57 ± 0.05 | EI | Williams and Hamill, 1968 | RDSH |
| 7.5 ± 0.1 | EI | Melton and Hamill, 1964 | RDSH |
| ≤7.5 | PI | Elder, Giese, et al., 1962 | RDSH |
| 7.67 ± 0.02 | PE | Dyke, Ellis, et al., 1985 | 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.
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
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]
Page and Goode, 1969
Page, F.M.; Goode, G.C.,
Negative Ions and the Magnetron., Wiley, NY, 1969. [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]
Houle and Beauchamp, 1979
Houle, F.A.; Beauchamp, J.L.,
Photoelectron spectroscopy of methyl, ethyl, isopropyl, and tert-butyl radicals. Implications for the thermochemistry and structures of the radicals and their corresponding carbonium ions,
J. Am. Chem. Soc., 1979, 101, 4067. [all data]
Aue and Bowers, 1979
Aue, D.H.; Bowers, M.T.,
Chapter 9. Stabilities of positive ions from equilibrium gas phase basicity measurements
in Ions Chemistry,, ed. M.T. Bowers, 1979. [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 ΔfH(+) ion,0K Enthalpy of formation of positive ion at 0K - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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