DL-3,4-Di(1-cyclohexen-1-yl)-2,2,5,5-tetramethylhexane

• Formula: C₂₂H₃₈
• Molecular weight: 302.5371
• IUPAC Standard InChI: InChI=1S/C22H38/c1-21(2,3)19(17-13-9-7-10-14-17)20(22(4,5)6)18-15-11-8-12-16-18/h13,15,19-20H,7-12,14,16H2,1-6H3 Copy

  
• IUPAC Standard InChIKey: XIRWMTOAKDZMDH-UHFFFAOYSA-N Copy
• CAS Registry Number: 69045-73-4
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Species with the same structure:
  • Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethylhexane
• Information on this page:
  • Gas phase thermochemistry data
  • References
  • Notes
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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

References

Go To: Top, Gas phase thermochemistry data, Notes

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

Stewart, 2004
Stewart, J.J.P., Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation, J. Mol. Model, 2004, 10, 1, 6-10, https://doi.org/10.1007/s00894-003-0157-6 . [all data]

Herberg, Beckhaus, et al., 1993
Herberg, C.; Beckhaus, H.-D.; Kortvelyesi, T.; Ruchardt, C., Thermolabile hydrocarbons. 32. Competing core rearrangement and homolytic decomposition of mego- and DL-3,4-di-cyclohexen-1-yl,2,2,5,5-tetramethylhexane, Chem. Ber., 1993, 126, 117-127. [all data]

Notes

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• Symbols used in this document:
  

  ΔfH°gas

  Enthalpy of formation of gas at standard conditions

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