1H-Pyrrole, 2-methyl-
- Formula: C5H7N
- Molecular weight: 81.1158
- IUPAC Standard InChI: InChI=1S/C5H7N/c1-5-3-2-4-6-5/h2-4,6H,1H3
- IUPAC Standard InChIKey: TVCXVUHHCUYLGX-UHFFFAOYSA-N
- CAS Registry Number: 636-41-9
- 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: Pyrrole, 2-methyl-; α-Methylpyrrole; 2-Methylpyrrole; 2-methyl-1H-pyrrole
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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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.01 ± 0.05 | EI | Linda, Marino, et al., 1971 | LLK |
| 7.78 ± 0.01 | PI | Potapov and Yuzhakova, 1970 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C5H6N+ | 10.3 ± 0.1 | H | PI | Potapov and Yuzhakova, 1970 | RDSH |
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.
Linda, Marino, et al., 1971
Linda, P.; Marino, G.; Pignataro, S.,
A comparison of sensitivities to substituent effects of five- membered heteroaromatic rings in gas phase ionization,
J. Chem. Soc. B, 1971, 1585. [all data]
Potapov and Yuzhakova, 1970
Potapov, V.K.; Yuzhakova, O.A.,
Photoionization and electronic structure of pyrrole and its methyl derivatives,
Dokl. Akad. Nauk SSSR, 1970, 192, 131, In original 365. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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