Isoquinoline, 3-methyl-

• Formula: C₁₀H₉N
• Molecular weight: 143.1852
• IUPAC Standard InChI: InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3 Copy

  
• IUPAC Standard InChIKey: FVVXWRGARUACNW-UHFFFAOYSA-N Copy
• CAS Registry Number: 1125-80-0
• 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: 3-Methylisoquinoline
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• Information on this page:
  • Phase change data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Gas phase ion energetics data
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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

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Mass spectrum (electron ionization)

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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Van Den Dool and Kratz RI, non-polar column, temperature ramp

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References

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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]

Zegalska, 1968
Zegalska, B., Liquid-Solid Equilibria in Binary Systems Formed by Quinoline, Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1968, 16, 335-41. [all data]

Cooper, Crowne, et al., 1967
Cooper, A.R.; Crowne, C.W.P.; Farrell, P.G., Gas-Liquid Chromatographic Studies of Electron-Donor-Acceptor Systems, Trans. Faraday Soc., 1967, 63, 447. [all data]

Malanowska and Wecsile, 1964
Malanowska, B.; Wecsile, J., Vapour pressures and boiling temperatures of some quinoline bases., Bull. Acad. Pol. Sci., Ser. Sci. Chim., 1964, 12, 239. [all data]

Malanowska and Wecsile, 1964, 2
Malanowska, B.; Wecsile, J., Vapour Pressures and Boiling Temperatures of Some Quinoline Bases, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1964, 12, 4, 239-241. [all data]

Morishita, Morimoto, et al., 1986
Morishita, F.; Morimoto, S.; Kojima, T., Prediction of molecular structures of aza-arenes by retention indices and fluorescence spectra, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 11, 688-692, https://doi.org/10.1002/jhrc.1240091120 . [all data]

Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point

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