2,4-Hexadiene, 3,4-dimethyl-, (Z,Z)-

• Formula: C₈H₁₄
• Molecular weight: 110.1968
• IUPAC Standard InChI: InChI=1S/C8H14/c1-5-7(3)8(4)6-2/h5-6H,1-4H3/b7-5-,8-6- Copy

  
• IUPAC Standard InChIKey: PBGBMQLUDCDJQJ-SFECMWDFSA-N Copy
• CAS Registry Number: 21293-01-6
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • (E,E)-2,4-Hexadiene, 3,4-dimethyl-
  • 2,4-Hexadiene, 3,4-dimethyl-, (E,Z)-
• Other names: (Z),(Z)-(CH3CH=C(CH3))2
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• Information on this page:
  • Gas phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • 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 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

Reaction 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

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

2 +  =

By formula: 2H₂ + C₈H₁₄ = C₈H₁₈

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:
LBLHLM - 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

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), NIST Subscription Links, Notes

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

Roth, Lennartz, et al., 1988
Roth, W.R.; Lennartz, H-W.; Doering, W.v.E.; Dolbier, W.R., Jr.; Schmidhauser, J.C., Thermochemistry of the "orthogonal" butadienes (Z,Z)-3,4-dimethylhexa-2,4-diene and 2,3-di-tert-butylbuta-1,3-diene, J. Am. Chem. Soc., 1988, 110, 1883-1889. [all data]

Reeve and Reichel, 1972
Reeve, W.; Reichel, D.M., Dehydration of 3,4-Dimethyl-3-hexanediol to the Six Possible C8H14 Dienes and Proof of Structure of the Substituted Btadienes, J. Org. Chem., 1972, 37, 68. [all data]

Honegger, Zhong-zhi, et al., 1984
Honegger, E.; Zhong-zhi, Y.; Heilbronner, E.; Doering, W.V.E.; Schmidhauser, J.C., Photoelectron-spectroscopic characterization of 3,4-dimethyl-2,4-hexadienes, Helv. Chim. Acta, 1984, 67, 640. [all data]

Notes

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• Symbols used in this document:
  

  Tboil	Boiling point
  ΔfH°gas	Enthalpy of formation of gas at standard conditions
  ΔrH°	Enthalpy of reaction at standard conditions

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