Butyl Isobutyrate

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Properties Simple | Detailed

Formula C8H16O2
IUPAC Name butyl 2-methylpropanoate
Molecular Mass 144.211 g·mol−1
Heat of Formation -519.9 ± 16.7 kJ·mol−1
Dipole Moment 2.07 ± 1.08 D
Volume 204.35 Å 3
Surface Area 207.36 Å 2
HOMO Energy -10.56 ± 0.55 eV
LUMO Energy 0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropanoic acid butyl ester
  • 2-methylpropionic acid butyl ester
  • butyl isobutanoate
  • butyl isobutyrate (natural)
  • butylisobutyrate
  • isobutyric acid, butyl ester
  • isobutyric acid, butyl ester (6ci,7ci,8ci)
  • propanoic acid, 2-methyl-, butyl ester
CAS Number(s)
  • 97-87-0
InChIKey JSLCOZYBKYHZNL-UHFFFAOYSA-N
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