Ethanone, 1-(1H-pyrrol-2-yl)-

• Formula: C₆H₇NO
• Molecular weight: 109.1259
• IUPAC Standard InChI: InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3 Copy

  
• IUPAC Standard InChIKey: IGJQUJNPMOYEJY-UHFFFAOYSA-N Copy
• CAS Registry Number: 1072-83-9
• 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: Ketone, methyl pyrrol-2-yl; Methyl pyrrol-2-yl ketone; 2-Acetylpyrrole; Pyrrole-α-methyl ketone; 1-(1H-pyrrol-2-yl)1-ethanone; 1-(1H-pyrrole-2-yl)-ethanone; 1H-Pyrrole, 2-acetyl; 2-Acetyl-1H-pyrrole; Ethanone, 1-(1H-pyrrole-2-yl)-; Pyrrole, 2-acetyl; 1-(1H-Pyrrol-2-yl)ethanone; 2-Pyrrolyl methyl ketone; 1-(1H-pyrrol-2-yl)ethanone (acetylpyrrole); 2-Acetylpyrrol; 1-(1H-pyrrol-2-yl)ethan-1-one
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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Phase change data

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

Enthalpy of sublimation

Enthalpy of fusion

Gas phase ion energetics data

Go To: Top, Phase change data, Mass spectrum (electron ionization), 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₆H₇NO⁺ (ion structure unspecified)

Ionization energy determinations

Mass spectrum (electron ionization)

Go To: Top, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

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]

Santos, Gomes, et al., 2009
Santos, Ana Filipa L.O.M.; Gomes, Jose R.B.; Ribeiro da Silva, Manuel A.V., 2- and 3-Acetylpyrroles: A Combined Calorimetric and Computational Study, J. Phys. Chem. A, 2009, 113, 15, 3630-3638, https://doi.org/10.1021/jp810407m . [all data]

Flores, Adriana Camarillo, et al., 2009
Flores, Henoc; Adriana Camarillo, E.; Mentado, Juan, Enthalpies of combustion and formation of 2-acetylpyrrole, 2-acetylfuran and 2-acetylthiophene, Thermochimica Acta, 2009, 493, 1-2, 76-79, https://doi.org/10.1016/j.tca.2009.04.012 . [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]

Notes

Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References

• Symbols used in this document:
  

  Tboil	Boiling point
  Tfus	Fusion (melting) point
  ΔfusH	Enthalpy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔsubH°	Enthalpy of sublimation at standard conditions

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