2,2,7,7-Tetramethylocta-3,5-diyne

• Formula: C₁₂H₁₈
• Molecular weight: 162.2713
• IUPAC Standard InChI: InChI=1S/C12H18/c1-11(2,3)9-7-8-10-12(4,5)6/h1-6H3 Copy

  
• IUPAC Standard InChIKey: VCVMWFDNPLLHKP-UHFFFAOYSA-N Copy
• CAS Registry Number: 6130-98-9
• Chemical structure:
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• Information on this page:
  • Condensed phase thermochemistry data
  • Gas phase ion energetics data
  • 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

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₁₂H₁₈⁺ (ion structure unspecified)

Ionization energy determinations

Appearance energy determinations

References

Go To: Top, Condensed 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.

Kupreev and Shimonaev, 1977
Kupreev, A.I.; Shimonaev, G.S., Determination of the enthalpies of formation of liquid acetylenic hydrocarbons, Russ. J. Phys. Chem. (Engl. Transl.), 1977, 51, 826-827. [all data]

Heilbronner, Jones, et al., 1978
Heilbronner, E.; Jones, T.B.; Kloster-Jensen, E.; Maier, J.P., 191. Electronic states of di-t-butylpolyacetylene radical cations, Helv. Chim. Acta, 1978, 61, 2040. [all data]

Bock and Seidl, 1968
Bock, H.; Seidl, H., d-Orbital effects in siliconsubstituted π-electron systems. Part XII. Some spectroscopic properties of alkyl and silyl acetylenes and polyacetylenes, J. Chem. Soc. B, 1968, 1158. [all data]

Notes

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

• Symbols used in this document:
  

  AE	Appearance energy
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions
  ΔfH°liquid	Enthalpy of formation of liquid at standard conditions

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