Piperidine, 1-(2-methyl-1-propenyl)-
- Formula: C9H17N
- Molecular weight: 139.2380
- IUPAC Standard InChI: InChI=1S/C9H17N/c1-9(2)8-10-6-4-3-5-7-10/h8H,3-7H2,1-2H3
- IUPAC Standard InChIKey: ZQZUJFQBFGFJMM-UHFFFAOYSA-N
- CAS Registry Number: 673-33-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Piperidine, 1-(2-methylpropenyl)-; 1-(2-Methyl-1-propenyl)piperidine; 1-Piperidinoisobutene; n-Isobuten-1-ylpiperidine; 1-Piperidino-1-isobutene
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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Proton affinity (review) | 978.2 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 949.4 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.0 | PE | Muller, Previdoli, et al., 1981 | Vertical value; LLK |
| 7.93 ± 0.03 | PE | Colonna, Distefano, et al., 1975 | Vertical value; LLK |
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]
Muller, Previdoli, et al., 1981
Muller, K.; Previdoli, F.; Desilvestro, H.,
246. Enamines. II. A theoretical and photoelectron spectroscopic study of the molecular and electronic structure of aliphatic enamines,
Helv. Chim. Acta, 1981, 64, 2497. [all data]
Colonna, Distefano, et al., 1975
Colonna, F.P.; Distefano, G.; Pignataro, S.; Pitacco, G.; Valentin, E.,
Ionization energies of some amines and enamines and an estimation of their relative basicity in gaseous phase,
J. Chem. Soc. Faraday Trans. 2, 1975, 71, 1572. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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