Pyridine, 3-chloro-
- Formula: C5H4ClN
- Molecular weight: 113.545
- IUPAC Standard InChI: InChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4H
- IUPAC Standard InChIKey: PWRBCZZQRRPXAB-UHFFFAOYSA-N
- CAS Registry Number: 626-60-8
- 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: m-Chloropyridine; 3-Chloropyridine; β-Chloropyridine
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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) | 903.4 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
| Quantity | Value | Units | Method | Reference | Comment |
| Gas basicity | 871.5 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.1 | PE | Modelli and Distefano, 1981 | LLK |
| 9.8 ± 0.1 | EI | Stefanovic and Grutzmacher, 1974 | LLK |
| 9.65 | PE | Modelli and Distefano, 1981 | Vertical value; LLK |
| 9.58 | PE | Klasinc, Novak, et al., 1978 | 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]
Modelli and Distefano, 1981
Modelli, A.; Distefano, G.,
He(I) photoelectron spectra of chloro-, vinyl- and acetyl-pyridines,
J. Electron Spectrosc. Relat. Phenom., 1981, 23, 323. [all data]
Stefanovic and Grutzmacher, 1974
Stefanovic, D.; Grutzmacher, H.F.,
The ionisation potential of some substituted pyridines,
Org. Mass Spectrom., 1974, 9, 1052. [all data]
Klasinc, Novak, et al., 1978
Klasinc, L.; Novak, I.; Scholz, M.; Kluge, G.,
Photoelektronenspektren substituierter Pyridine und Benzole und ihre Interpretation durch die CNDO/SWW-Methode,
Croat. Chem. Acta, 1978, 51, 43. [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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