1H-Indole, 1-methyl-
- Formula: C9H9N
- Molecular weight: 131.1745
- IUPAC Standard InChI: InChI=1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
- IUPAC Standard InChIKey: BLRHMMGNCXNXJL-UHFFFAOYSA-N
- CAS Registry Number: 603-76-9
- 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: Indole, 1-methyl-; N-Methylindole; 1-Methyl-1H-indole; 1-Methylindole; 1-Methylindole (N-)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔvapH° | 14.9 ± 0.38 | kcal/mol | C | Ribeiro da Silva, Cabral, et al., 2009 | AC |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 406.2 | 0.034 | Aldrich Chemical Company Inc., 1990 | BS |
| 345.7 | 0.003 | Weast and Grasselli, 1989 | BS |
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:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 7.4008 ± 0.0006 | LS | Hager and Wallace, 1988 | LL |
| 7.48 ± 0.015 | PE | Gusten, Klasinc, et al., 1976 | LLK |
| 7.74 ± 0.03 | PI | Potapov, Kardash, et al., 1972 | LLK |
| 7.71 | PE | Dolby, Hanson, et al., 1976 | Vertical value; LLK |
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.
Ribeiro da Silva, Cabral, et al., 2009
Ribeiro da Silva, Manuel A.V.; Cabral, Joana I.T.A.; Gomes, José R.B.,
Combined experimental and computational study of the energetics of methylindoles,
The Journal of Chemical Thermodynamics, 2009, 41, 11, 1193-1198, https://doi.org/10.1016/j.jct.2009.05.018
. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Hager and Wallace, 1988
Hager, J.W.; Wallace, S.C.,
Two-laser photoionization supersonic jet mass spectrometry of aromatic molecules,
Anal. Chem., 1988, 60, 5. [all data]
Gusten, Klasinc, et al., 1976
Gusten, H.; Klasinc, L.; Ruscic, B.,
Photoelectron spectroscopy of J. Heterocycl. Chem.. Indene analogs,
Z. Naturforsch. A:, 1976, 31, 1051. [all data]
Potapov, Kardash, et al., 1972
Potapov, V.K.; Kardash, I.E.; Sorokin, V.V.; Sokolov, S.A.; Evlasheva, T.I.,
Photoionization of heteroaromatic compounds,
Khim. Vys. Energ., 1972, 6, 392. [all data]
Dolby, Hanson, et al., 1976
Dolby, L.J.; Hanson, G.; Koenig, T.,
The He I photoelectron spectra of N-methylisoindole and N-methylindole,
J. Org. Chem., 1976, 41, 3537. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point ΔvapH° Enthalpy of vaporization at standard conditions - 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.