1,3,5-Cycloheptatriene, 7-ethyl-

• Formula: C₉H₁₂
• Molecular weight: 120.1916
• IUPAC Standard InChI: InChI=1S/C9H12/c1-2-9-7-5-3-4-6-8-9/h3-9H,2H2,1H3 Copy

  
• IUPAC Standard InChIKey: DKCPRYXLHFWDCQ-UHFFFAOYSA-N Copy
• CAS Registry Number: 17634-51-4
• 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: 7-Ethyl-1,3,5-cycloheptatriene; 7-Ethylcycloheptatriene
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• Information on this page:
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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Reaction thermochemistry 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 by: John E. Bartmess

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C₉H₁₁^- +  =

By formula: C₉H₁₁^- + H⁺ = C₉H₁₂

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 compiled by: John E. Bartmess

View reactions leading to C₉H₁₂⁺ (ion structure unspecified)

De-protonation reactions

C₉H₁₁^- +  =

By formula: C₉H₁₁^- + H⁺ = C₉H₁₂

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

References

Go To: Top, Reaction thermochemistry 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.

Mishima, Kinoshita, et al., 2002
Mishima, M.; Kinoshita, T.; Hattori, Y.; Takeuchi, K., Gas-phase acidities of cycloheptatrienes: effects of alkyl groups on the stability of carbanions, Eur. J. Mass Spectrom., 2002, 8, 1, 359-366, https://doi.org/10.1255/ejms.499 . [all data]

Notes

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

• Symbols used in this document:
  

  ΔrG°	Free energy of reaction at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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