Hexadienal

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Properties Simple | Detailed

Formula C6H8O
IUPAC Name (2e,4e)-hexa-2,4-dienal
Molecular Mass 96.127 g·mol−1
Heat of Formation -52.4 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 137.79 Å 3
Surface Area 152.27 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry Cs
Synonyms
  • (2e,4e)-hexa-2,4-dienal
  • 1,3-pentadiene-1-carboxaldehyde
  • 2,4-hexadienal (89% trans,trans-, 11% cis,trans-)
  • 2,4-hexadienal (89% trans,trans;11% cis,trans)
  • 2,4-hexadienal, (2e,4e)-
  • 2,4-hexadienal, (e,e)-
  • 2,4-hexadienal, trans,trans-
  • 2-propyleneacrolein
  • 3-propyleneacrolein
  • sorbic aldehyde
CAS Number(s)
  • 73506-81-7
  • 142-83-6
  • 4488-48-6
InChIKey BATOPAZDIZEVQF-MQQKCMAXSA-N
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Elements H C O