Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene

• Formula: C₁₁H₁₀
• Molecular weight: 142.1971
• IUPAC Standard InChI: InChI=1S/C11H10/c1-2-6-11-8-4-3-7-10(5-1)9-11/h1-8H,9H2 Copy

  
• IUPAC Standard InChIKey: OORRQYZWSVJKSO-UHFFFAOYSA-N Copy
• CAS Registry Number: 2443-46-1
• 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: 1,6-Methano[10]annulene
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• Information on this page:
  • Gas phase thermochemistry data
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
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Gas phase 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Constant pressure heat capacity of gas

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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₁₁H₁₀⁺ (ion structure unspecified)

Ionization energy determinations

References

Go To: Top, Gas phase thermochemistry 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.

Roth, Klarner, et al., 1992
Roth, W.R.; Klarner, F.-G.; Siepert, G.; Lennartz, H.-W., Zur Frage der Homoaromatizitat von Norcaradien und Cycloheptatrien, Chem. Ber., 1992, 125, 217-224. [all data]

Roth, Bohm, et al., 1983
Roth, W.R.; Bohm, M.; Lenhartz, H-W.; Vogel, E., Heats of hydrogenation. Part 5. Resonance energy of bridged [10]annulenes, Angew. Chem., 1983, 95, 1011-1012. [all data]

Bremser, Hagen, et al., 1969
Bremser, W.; Hagen, R.; Heilbronner, E.; Vogel, E., 48. Die Bildungsenthalpie 1,6-uberbruckter [10]Annulene, Helv. Chim. Acta, 1969, 52, 418-431. [all data]

Espinosa-Muller A., 1978
Espinosa-Muller A., Conformational and thermodynamical prediction of the 1,5-methano(10)-annulene, 1,6-methano(10)-annulene, and some benzo derivatives, J. Chem. Phys., 1978, 69, 367-372. [all data]

Andrea, Cerfontain, et al., 1984
Andrea, R.R.; Cerfontain, H.; Lamberchts, H.J.A.; Louwen, J.N.; Oskam, A., He I and He II photoelectron spectra and CNDO/S and MNDO MO calculations of some bridged [10] annulenes, J. Am. Chem. Soc., 1984, 106, 2531. [all data]

Boschi, Schmidt, et al., 1972
Boschi, R.; Schmidt, W.; Gfeller, J.-C., The electronic structure of 1,6-methano-cyclodecapentaene, Tetrahedron Lett., 1972, 40, 4107. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References

• Symbols used in this document:
  

  Cp,gas	Constant pressure heat capacity of gas
  ΔfH°gas	Enthalpy of formation of gas at standard conditions

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