Methanimine
- Formula: CH3N
- Molecular weight: 29.0412
- IUPAC Standard InChI: InChI=1S/CH3N/c1-2/h2H,1H2
- IUPAC Standard InChIKey: WDWDWGRYHDPSDS-UHFFFAOYSA-N
- CAS Registry Number: 2053-29-4
- 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 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
View reactions leading to CH3N+ (ion structure unspecified)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 852.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 818.7 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.97 | PE | Bock and Dammel, 1987 | LBLHLM |
| 9.88 ± 0.07 | PI | Tarasenko, Tishenkov, et al., 1986 | LBLHLM |
| ~10.0 | PE | Peel and Willett, 1975 | LLK |
| 10.7 | PE | Bock and Dammel, 1987 | Vertical value; LBLHLM |
De-protonation reactions
CH2N- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1625. ± 21. | kJ/mol | G+TS | Kass and DePuy, 1985 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1594. ± 21. | kJ/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]
Tarasenko, Tishenkov, et al., 1986
Tarasenko, N.A.; Tishenkov, A.A.; Zaikin, V.G.; Volkova, V.V.; Gusel'nikov, L.E.,
Adiabatic ionization energy of methylenimine,
Bull. Acad. Sci. USSR, Div. Chem. Sci., 1986, 10, 2196. [all data]
Peel and Willett, 1975
Peel, J.B.; Willett, G.D.,
Photoelectron spectrum of methylenimine by spectrum stripping,
J. Chem. Soc. Faraday Trans. 2, 1975, 71, 1799. [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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