Isoamyl Isobutyrate

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Properties Simple | Detailed

Formula C9H18O2
IUPAC Name isopentyl 2-methylpropanoate
Molecular Mass 158.238 g·mol−1
Heat of Formation -543.6 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 226.81 Å 3
Surface Area 223.18 Å 2
HOMO Energy -10.54 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropanoic acid isopentyl ester
  • 2-methylpropionic acid isoamyl ester
  • 3-methyl-1-butyl isobutyrate
  • 3-methylbutyl 2-methylpropanoate
  • 3-methylbutyl 2-methylpropanoate (natural)
  • 3-methylbutyl isobutyrate
  • isoamyl 2-methylpropanoate
  • isobutyric acid, isopentyl ester
  • isopentyl alcohol, isobutyrate
  • isopentyl isobutyrate
  • propanoic acid, 2-methyl-, 3-methylbutyl ester
CAS Number(s)
  • 2050-01-3
InChIKey VFTGLSWXJMRZNB-UHFFFAOYSA-N
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