1H-Indole, 2-methyl-

• Formula: C₉H₉N
• Molecular weight: 131.1745
• IUPAC Standard InChI: InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3 Copy

  
• IUPAC Standard InChIKey: BHNHHSOHWZKFOX-UHFFFAOYSA-N Copy
• CAS Registry Number: 95-20-5
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Indole, 2-methyl-; 2-Methyl-1H-indole; 2-Methylindole
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • Gas Chromatography
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Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of fusion

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:
L - Sharon G. Lias

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

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.

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]

Adkins and Coonradt, 1941
Adkins, H.; Coonradt, H.L., The Selective Hydrogenation of Derivatives of Pyrrole, Indole, Carbazole and Acridine, J. Am. Chem. Soc., 1941, 63, 1563-70. [all data]

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]

Peyrot, Letoffe, et al., 1997
Peyrot, L.; Letoffe, J.M.; Elkhatib, M.; Scharff, J.P.; Delalu, H., Thermochemical study of derivatives of an indole hydrazine of pharmaceutical interest, Calorim. Anal. Therm., 1997, 28, 298. [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]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  IE (evaluated)	Recommended ionization energy
  Tboil	Boiling point
  ΔfusH	Enthalpy of fusion
  ΔsubH°	Enthalpy of sublimation at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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