Pentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecane-8,11-dione

• Formula: C₁₁H₁₀O₂
• Molecular weight: 174.1959
• IUPAC Standard InChI: InChI=1S/C11H10O2/c12-10-6-2-1-3-5-4(2)8(10)9(5)11(13)7(3)6/h2-9H,1H2 Copy

  
• IUPAC Standard InChIKey: WTUFOKOJVXNYTJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 2958-72-7
• 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: Pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8,11-dione; Pentacyclo[5.4.0.0^2,6.0^3,10.0^5,9]undecan-8,11-dione
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• Information on this page:
  • Condensed phase thermochemistry data
  • Phase change data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • References
  • Notes
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Condensed 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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:
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 compiled by: Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard

Ionization energy determinations

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

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Cookson, Crundwell, et al., 1964
Cookson, R.C.; Crundwell, E.; Hill, R.R.; Hudec, J., 586. Photochemical cyclisation of Diels-Alder adducts., J. Chem. Soc., 1964, 3062-3075. [all data]

Weinstein, Leffler, et al., 1984
Weinstein, D.I.; Leffler, A.J.; Currie, J.A., Phase Transitions in Bicyclic Compounds, Mol. Cryst. Liq. Cryst., 1984, 104, 95. [all data]

Jiménez, Roux, et al., 1999
Jiménez, P.; Roux, M.V.; Dávalos, J.Z.; Abboud, J.-L.M.; Molina, M.T., Structural effects on the thermochemical properties of cycloalkanones. III. Enthalpy of combustion, vapour pressures, and enthalpy of sublimation, and standard enthalpy of formation in the gaseous phase of pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione, The Journal of Chemical Thermodynamics, 1999, 31, 2, 263-271, https://doi.org/10.1006/jcht.1998.0450 . [all data]

Weinstein, Leffler, et al., 1984, 2
Weinstein, D.I.; Leffler, A.J.; Currie, J.A., Phase Transitions In Bicyclic Compounds, Molecular Crystals and Liquid Crystals, 1984, 104, 1-2, 95-109, https://doi.org/10.1080/00268948408070401 . [all data]

Marchand, Kaya, et al., 1984
Marchand, A.P.; Kaya, R.; Baker, A.D., A photoelectron spectroscopic study of proximity effects in 8,11-disubstituted pentacyclo(5.4.0.02,6.03,10.05,9)undecanes, Tetrahedron Lett., 1984, 25, 795. [all data]

Notes

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• Symbols used in this document:
  

  Ttriple	Triple point temperature
  ΔcH°solid	Enthalpy of combustion of solid at standard conditions
  ΔfH°solid	Enthalpy of formation of solid at standard conditions
  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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