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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Phase change data
Go To: Top, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 421. | K | N/A | Cumper and Wood, 1971 | Uncertainty assigned by TRC = 2. K |
| Tboil | 421.15 | K | N/A | Rapoport and Baldridge, 1952 | Uncertainty assigned by TRC = 2. K |
| Tboil | 420.65 | K | N/A | Lecat, 1947 | Uncertainty assigned by TRC = 0.5 K |
| Tboil | 421.15 | K | N/A | Fischer, Beller, et al., 1928 | Uncertainty assigned by TRC = 2. K; named ".alpha.-methyl-pyrrol" |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 237.55 | K | N/A | Lanum and Morris, 1969 | Uncertainty assigned by TRC = 0.3 K |
| Tfus | 237.55 | K | N/A | Anonymous, 1957 | Uncertainty assigned by TRC = 0.4 K |
Gas phase ion energetics data
Go To: Top, Phase change data, References, Notes
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, Phase change data, 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.
Cumper and Wood, 1971
Cumper, C.W.N.; Wood, J.W.M.,
Dielectric relaxation and dipole moments of substituted pyrroles.,
J. Chem. Soc. B, 1971, 1811. [all data]
Rapoport and Baldridge, 1952
Rapoport, H.; Baldridge, H.D.,
The Nitrogen-Containing Ring of Carpaine,
J. Am. Chem. Soc., 1952, 74, 5365. [all data]
Lecat, 1947
Lecat, M.,
Some azeotropes of which one constituant is heterocyclic nitrogen,
Ann. Soc. Sci. Bruxelles, Ser. 1, 1947, 61, 73. [all data]
Fischer, Beller, et al., 1928
Fischer, H.; Beller, H.; Stern, A.,
Some transformations of 2-methyl-3-carbethoxypyrrole, 2-methylpyrrole and 2,3-dimethylpyrrole,
Ber. Dtsch. Chem. Ges. B, 1928, 61, 1074. [all data]
Lanum and Morris, 1969
Lanum, W.J.; Morris, J.C.,
Physical Properties of Some Sulfur and Nitrogen Compounds,
J. Chem. Eng. Data, 1969, 14, 93-8. [all data]
Anonymous, 1957
Anonymous, R.,
, Am. Pet. Inst. Res. Proj. 6, Carnegie-Mellon Univ., 1957. [all data]
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, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point Tfus Fusion (melting) point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.