3-Hexene, 2,2,5,5-tetramethyl-, (Z)-

• Formula: C₁₀H₂₀
• Molecular weight: 140.2658
• IUPAC Standard InChI: InChI=1S/C10H20/c1-9(2,3)7-8-10(4,5)6/h7-8H,1-6H3/b8-7- Copy

  
• IUPAC Standard InChIKey: UYWLQEPMPVDASH-FPLPWBNLSA-N Copy
• CAS Registry Number: 692-47-7
• 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.
• Stereoisomers:
  • 3-Hexene, 2,2,5,5-tetramethyl-
  • trans-1,2-di-tert-butylethylene
• Other names: (Z)-2,2,5,5-Tetramethyl-3-hexene; cis-Di-tert-butylethylene; cis-1,2-Di-tert-butylethylene; cis-2,2,5,5-Tetramethyl-3-hexene; (Z)-(t-C4H9)CH=CH(t-C4H9); (Z)-1,2-Di-tert-butylethylene
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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
• Other data available:
  • Gas phase thermochemistry data
  • Reaction thermochemistry data
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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 by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

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

Ionization energy determinations

Appearance 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.

Rockenfeller and Rossini, 1961
Rockenfeller, J.D.; Rossini, F.D., Heats of combustion, isomerization, and formation of selected C₇, C₈, and C₁₀ monoolefin hydrocarbons, J. Phys. Chem., 1961, 65, 267-272. [all data]

Turner, Nettleton, et al., 1958
Turner, R.B.; Nettleton, D.E.; Perelman, M., Heats of Hydrogenation VI. Heats of Hydr. of SOm Substituted Ethylenes, J. Am. Chem. Soc., 1958, 80, 1430. [all data]

Bader, Buckley, et al., 1957
Bader, A.R.; Buckley, R.P.; Leavitt, F.; Szwarc, M., J. Am. Chem. Soc., 1957, 79, 5621. [all data]

Newman, 1956
Newman, M., Private Communication, Ohio State Univ., 1956. [all data]

Masclet, Grosjean, et al., 1973
Masclet, P.; Grosjean, D.; Mouvier, G., Alkene ionization potentials. Part I. Quantitative determination of alkyl group structural effects, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 225. [all data]

Demeo and El-Sayed, 1970
Demeo, D.A.; El-Sayed, M.A., Ionization potential and structure of olefins, J. Chem. Phys., 1970, 52, 2622. [all data]

Robin, Taylor, et al., 1973
Robin, M.B.; Taylor, G.N.; Kuebler, N.A.; Bach, R.D., Planarity of the carbon skeleton in various alkylated olefins, J. Org. Chem., 1973, 38, 1049. [all data]

Natalis and Franklin, 1966
Natalis, P.; Franklin, J.L., Etude du comportement d'isomeres geometriques sous l'impact electronique. VI. Les cis- et trans-1,2-di-terbutyl-ethylenes, Bull. Soc. Chim. Belges, 1966, 75, 328. [all data]

Notes

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• Symbols used in this document:
  

  AE	Appearance energy
  Tboil	Boiling point
  ΔcH°liquid	Enthalpy of combustion of liquid at standard conditions

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