Isobutyl Isobutyrate

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Properties Simple | Detailed

Formula C8H16O2
IUPAC Name isobutyl 2-methylpropanoate
Molecular Mass 144.211 g·mol−1
Heat of Formation -489.1 ± 16.7 kJ·mol−1
Dipole Moment 4.56 ± 1.08 D
Volume 205.09 Å 3
Surface Area 200.14 Å 2
HOMO Energy -10.28 ± 0.55 eV
LUMO Energy 4.25 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-1-propyl 2-methylpropanoate
  • 2-methylpropanoic acid isobutyl ester
  • 2-methylpropionic acid isobutyl ester
  • 2-methylpropyl 2-methylpropanoate
  • 2-methylpropyl 2-methylpropionate
  • 2-methylpropyl isobutyrate
  • isobutyl isobutanoate
  • isobutyl isobutyrate (natural)
  • isobutyl isobutyrate [un2528] [flammable liquid]
  • isobutyric acid, isobutyl ester
  • propanoic acid, 2-methyl-, 2-methylpropyl ester
CAS Number(s)
  • 97-85-8
InChIKey RXGUIWHIADMCFC-UHFFFAOYSA-N
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