2,4-Hexadienal, (E,E)-

• Formula: C₆H₈O
• Molecular weight: 96.1271
• IUPAC Standard InChI: InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+ Copy

  
• IUPAC Standard InChIKey: BATOPAZDIZEVQF-MQQKCMAXSA-N Copy
• CAS Registry Number: 142-83-6
• 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:
  • 2,4-Hexadienal
  • (E,E)-2,4-Hexadienal
• Stereoisomers:
  • (E,Z)-2,4-Hexadienal
  • (E,Z)-2,4-Hexadienal
• Other names: Sorbaldehyde; n-Hex-2,4-dienal, trans,trans-; Hexa-2,4-dienal, (E,E)-; Sorbic aldehyde; 2,4-Hexadien-1-al, (E,E)-; (E,E)-2,4-Hexadienal; trans,trans-2,4-Hexadienal; 2,4-(E,E)-Hexadienal; (2E,4E)-Hexadienal; (E)-2,(E)-4-Hexadienal; (E,E)-Hexa-2,4-dienal; trans,trans-Hexa-2,4-dienal; t,t-2,4-Hexadienal; 2,4-Hexadienal, (2E,4E)-; 2,4-Hexadienal; hexa-2,4-dienal
• Information on this page:
  • Henry's Law data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • UV/Visible spectrum
  • References
  • Notes
• Other data available:
  • Gas Chromatography
• Options:
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Henry's Law 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: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

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 C₆H₈O⁺ (ion structure unspecified)

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

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

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.

Klessinger and Gunkel, 1978
Klessinger, M.; Gunkel, E., The electronic structure of polyenes and unsaturated carbonyl compounds, Tetrahedron, 1978, 34, 3591. [all data]

Timmons, 1966
Timmons, C.J., UV atlas of organic compounds, 1966, 1, B4/1. [all data]

Notes

Go To: Top, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, References

• Symbols used in this document:
  

  d(ln(kH))/d(1/T)	Temperature dependence parameter for Henry's Law constant
  k°H	Henry's Law constant at 298.15K

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