Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1α,2α,3α,4α)- (endo,endo)

• Formula: C₁₀H₁₃N
• Molecular weight: 147.2169
• IUPAC Standard InChI: InChI=1S/C10H15N/c1-7-8-2-4-9(5-3-8)10(7)6-11/h7-10H,2-5H2,1H3/t7-,8?,9?,10-/m0/s1 Copy

  
• IUPAC Standard InChIKey: ZFLTZPJOKVUDPQ-NFTFJBJSSA-N Copy
• CAS Registry Number: 114718-72-8
• 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.
• Species with the same structure:
  • Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1α,2β,3β,4α)- (exo,exo)
• Stereoisomers:
  • Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1α,2β,3α,4α)- (exo,endo)
  • Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1α,2α,3β,4α)- (endo,exo)
• Information on this page:
  • Gas phase thermochemistry data
  • References
  • Notes
• Data at other public NIST sites:
  • Gas Phase Kinetics Database
• Options:
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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.

Van Mele and Huybrechts, 1988
Van Mele, B.; Huybrechts, G., Kinetics and mechanism of the thermal reactions of endo- and exo-5-cyanobicyclo[2.2.2]oct-2-ene and methyl-substituted derivatives in the gas phase, Int. J. Chem. Kinet., 1988, 19, 885-894. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, References

• 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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