Isoamyl N-Butyrate

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Properties Simple | Detailed

Formula C9H18O2
IUPAC Name isopentyl butanoate
Molecular Mass 158.238 g·mol−1
Heat of Formation -543.0 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 224.66 Å 3
Surface Area 226.69 Å 2
HOMO Energy -10.70 ± 0.55 eV
LUMO Energy 0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methylbutyl butyrate
  • butanoic acid isopentyl ester
  • butanoic acid, 3-methylbutyl ester
  • butyric acid isoamyl ester
  • butyric acid isoamylester
  • butyric acid, isopentyl ester
  • isoamyl butanoate
  • isoamyl butylate
  • isoamyl butyrate
  • isoamyl butyrate (natural)
  • isoamyl-n-butyrate
  • isopentyl alcohol, butyrate
  • isopentyl butyrate
  • ls-2364
CAS Number(s)
  • 106-27-4
InChIKey PQLMXFQTAMDXIZ-UHFFFAOYSA-N
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Elements H C O