N-Methyl methanimine
- Formula: C2H5N
- Molecular weight: 43.0678
- CAS Registry Number: 1761-67-7
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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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
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
View reactions leading to C2H5N+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 211.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 203.7 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.3 | PE | Bock and Dammel, 1987 | LBLHLM |
| 9.4 | PE | Frost, MacDonald, et al., 1978 | LLK |
| 9.8 ± 0.1 | EI | Fisher and Henderson, 1967 | RDSH |
| 10.0 | PE | Bock and Dammel, 1987 | Vertical value; LBLHLM |
| 9.90 ± 0.02 | PE | Frost, MacDonald, et al., 1978 | Vertical value; LLK |
De-protonation reactions
C2H4N- + = C2H5N
By formula: C2H4N- + H+ = C2H5N
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 384.6 ± 5.1 | kcal/mol | G+TS | Kass and DePuy, 1985 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 378.0 ± 5.0 | kcal/mol | IMRB | Kass and DePuy, 1985 | gas phase; 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.
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]
Bock and Dammel, 1987
Bock, H.; Dammel, R.,
Methanimine RR"C=NR": Darstellung und photoelektronen-spektren,
J. Am. Chem. Soc., 1987, 120, 1961. [all data]
Frost, MacDonald, et al., 1978
Frost, D.C.; MacDonald, B.; McDowell, C.A.; Westwood, N.P.C.,
Pyrolysis of trimethyl hexahydro-s-triazines. The photoelectron spectra of N-methylmethylenimine, CH2=NCH3, and C-methyl- methylenimine, CH3CH=NH,
J. Electron Spectrosc. Relat. Phenom., 1978, 14, 379. [all data]
Fisher and Henderson, 1967
Fisher, I.P.; Henderson, E.,
Mass spectrometry of free radicals,
J. Chem. Soc. Faraday Trans., 1967, 63, 1342. [all data]
Kass and DePuy, 1985
Kass, S.R.; DePuy, C.H.,
Gas phase ion chemistry of azides. The generation of CH=N- and CH2=NCH2-,
J. Org. Chem., 1985, 50, 2874. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
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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