2,4-Heptadiene

• Formula: C₇H₁₂
• Molecular weight: 96.1702
• IUPAC Standard InChI: InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,5-7H,4H2,1-2H3 Copy

  
• IUPAC Standard InChIKey: XTJLXXCARCJVPJ-UHFFFAOYSA-N Copy
• CAS Registry Number: 628-72-8
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Stereoisomers:
  • 2,4-Heptadiene, (E,E)-
  • 2,4-Heptadiene, (Z,Z)
  • 2,4-Heptadiene, (Z,E)
  • 2,4-Heptadiene, (E,Z)
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• Information on this page:
  • Phase change data
  • Gas phase ion energetics data
  • UV/Visible spectrum
  • Gas Chromatography
  • References
  • Notes
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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - 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 by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C₇H₁₂⁺ (ion structure unspecified)

Ionization energy determinations

UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

Gas Chromatography

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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

Normal alkane RI, non-polar column, temperature ramp

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References

Go To: Top, Phase change data, Gas phase ion energetics data, UV/Visible spectrum, Gas Chromatography, Notes

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

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]

Gorin and Vasil'eva, 1954
Gorin, Yu.A.; Vasil'eva, F.A., Zh. Obshch. Khim., 1954, 24, 1795. [all data]

Henne and Turk, 1942
Henne, A.L.; Turk, A., Conjugated diolefins by double bond displacement, J. Am. Chem. Soc., 1942, 64, 826-8. [all data]

Karasev and Khabarova, 1940
Karasev, K.I.; Khabarova, Zh. Obshch. Khim., 1940, 10, 1641. [all data]

Reif, 1908
Reif, J., The effect of magnesium organic compounds on orotonaldehyde (2-butene), and the optic behavior of the products, Ber. Dtsch. Chem. Ges., 1908, 41, 2739-46. [all data]

Masclet, Mouvier, et al., 1981
Masclet, P.; Mouvier, G.; Bocquet, J.F., Effets electroniques et effets steriques dus a la substitution alcoyle dans les dienes conjugues, J. Chim. Phys., 1981, 78, 99. [all data]

Kraevskii, 1963
Kraevskii, A.A., Zhur. Obshcei Khim. (in Rus.), 1963, 33, 1835. [all data]

Chupalov and Zenkevich, 1996
Chupalov, A.A.; Zenkevich, I.G., Chromatographic Characterization of Structural Transformations of Organic Compounds in Diels-Alder Reaction. Aliphatic Dienes and Dienophyls, Zh. Org. Khim., 1996, 32, 6, 675-684. [all data]

Notes

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• Symbols used in this document:
  

  Tboil

  Boiling point

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