Nitrosoethane, 1,1-dimethyl-
- Formula: C4H9NO
- Molecular weight: 87.1204
- IUPAC Standard InChIKey: LUQZKEZPFQRRRK-UHFFFAOYSA-N
- CAS Registry Number: 917-95-3
- 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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.05 ± 0.05 | PE | Ernsting, Pfab, et al., 1980 | Vertical value; LLK |
8.95 | PE | Houk, Caramella, et al., 1977 | Vertical value; LLK |
8.0 ± 0.1 | PE | Egdell, Green, et al., 1975 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C4H9+ | 8.9 ± 0.1 | ? | EI | Carmichael, Gowenlock, et al., 1972 | LLK |
De-protonation reactions
C4H8NO- + =
By formula: C4H8NO- + H+ = C4H9NO
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 385.4 ± 6.1 | kcal/mol | G+TS | Noest and Nibbering, 1980 | gas phase; Between H2O, MeOH; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 379.0 ± 6.0 | kcal/mol | IMRB | Noest and Nibbering, 1980 | gas phase; Between H2O, MeOH; B |
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.
Ernsting, Pfab, et al., 1980
Ernsting, N.P.; Pfab, J.; Green, J.C.; Romelt, J.,
Photoelectron spectra of nitrosomethane, t-nitrosobutane and some perhalogenonitrosomethanes,
J. Chem. Soc. Faraday Trans. 2, 1980, 76, 844. [all data]
Houk, Caramella, et al., 1977
Houk, K.N.; Caramella, P.; Munchausen, L.L.; Chang, Y.-M.; Battaglia, A.; Sims, J.; Kaufman, D.C.,
Photoelectron spectra of nitrones and nitrile oxides,
J. Electron Spectrosc. Relat. Phenom., 1977, 10, 441. [all data]
Egdell, Green, et al., 1975
Egdell, R.; Green, J.C.; Rao, C.N.R.; Gowenlock, B.G.; Pfab, J.,
He(I) photoelectron studies of C-nitroso compounds,
J. Chem. Soc. Faraday Trans. 2, 1975, 988. [all data]
Carmichael, Gowenlock, et al., 1972
Carmichael, P.J.; Gowenlock, B.G.; Johnson, C.A.F.,
Carbon-nitrogen bond dissociation energy values in C-nitrosocompounds,
Int. J. Chem. Kinet., 1972, 4, 339. [all data]
Noest and Nibbering, 1980
Noest, A.J.; Nibbering, N.M.M.,
Homoconjugation vs. charge dipole stabilization interaction effects in the stabilization of carbanions in the gas phase,
J. Am. Chem. Soc., 1980, 102, 6427. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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