Propyl Hexanoate

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Properties Simple | Detailed

Formula C9H18O2
IUPAC Name propyl hexanoate
Molecular Mass 158.238 g·mol−1
Heat of Formation -541.5 ± 16.7 kJ·mol−1
Dipole Moment 1.97 ± 1.08 D
Volume 224.43 Å 3
Surface Area 231.21 Å 2
HOMO Energy -10.73 ± 0.55 eV
LUMO Energy 4.20 ± eV
Point Group Symmetry Cs
Synonyms
  • caproic acid propyl ester
  • hexanoic acid propyl ester
  • hexanoic acid, propyl ester
  • n-propyl hexanoate
  • propyl caproate
  • propyl hexanoate (natural)
CAS Number(s)
  • 626-77-7
InChIKey HTUIWRWYYVBCFT-UHFFFAOYSA-N
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Elements H C O