Isobutyl Valerate

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Properties Simple | Detailed

Formula C9H18O2
IUPAC Name isobutyl pentanoate
Molecular Mass 158.238 g·mol−1
Heat of Formation -543.3 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 226.28 Å 3
Surface Area 227.3 Å 2
HOMO Energy -10.70 ± 0.55 eV
LUMO Energy 0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropyl pentanoate
  • isobutyl n-valerate
  • pentanoic acid isobutyl ester
  • pentanoic acid, 2-methylpropyl ester
  • valeric acid isobutyl ester
  • valeric acid, isobutyl ester
CAS Number(s)
  • 10588-10-0
InChIKey ADNADZOSMJDVIS-UHFFFAOYSA-N
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Elements H C O