Allyl Caproate

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Properties Simple | Detailed

Formula C9H16O2
IUPAC Name allyl hexanoate
Molecular Mass 156.222 g·mol−1
Heat of Formation -420.8 ± 16.7 kJ·mol−1
Dipole Moment 1.82 ± 1.08 D
Volume 219.46 Å 3
Surface Area 226.29 Å 2
HOMO Energy -10.35 ± 0.55 eV
LUMO Energy 3.82 ± eV
Point Group Symmetry C1
Synonyms
  • 2-propenyl hexanoate
  • 2-propenyl n-hexanoate
  • allocopen
  • allyl hexanoate (natural)
  • allyl n-caproate
  • hexanoic acid allyl ester
  • hexanoic acid, 2-propenyl ester
  • hexanoic acid, allyl ester
  • ls-2369
  • prop-2-enyl hexanoate
CAS Number(s)
  • 123-68-2
InChIKey RCSBILYQLVXLJG-UHFFFAOYSA-N
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Elements H C O