Pentyl Butyrate

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Properties Simple | Detailed

Formula C9H18O2
IUPAC Name pentyl butanoate
Molecular Mass 158.238 g·mol−1
Heat of Formation -540.9 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 224.58 Å 3
Surface Area 231.0 Å 2
HOMO Energy -10.72 ± 0.55 eV
LUMO Energy 4.20 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-pentyl butyrate
  • amyl butanoate
  • amyl butyrate (natural)
  • butanoic acid pentyl ester
  • butanoic acid, pentyl ester
  • butyric acid amyl ester
  • butyric acid, pentyl ester
  • n-pentyl butanoate
  • n-pentyl n-butyrate
CAS Number(s)
  • 540-18-1
InChIKey CFNJLPHOBMVMNS-UHFFFAOYSA-N
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