Isobutyl Benzoate

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Properties Simple | Detailed

Formula C11H14O2
IUPAC Name isobutyl benzoate
Molecular Mass 178.228 g·mol−1
Heat of Formation -331.6 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 232.95 Å 3
Surface Area 226.0 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropyl benzoate
  • benzoic acid isobutyl ester
  • benzoic acid, 2-methylpropyl ester
  • benzoic acid, isobutyl ester
  • benzoic acid, isobutyl ester (6ci,7ci,8ci)
  • isobutyl benzoate (natural)
CAS Number(s)
  • 120-50-3
InChIKey KYZHGEFMXZOSJN-UHFFFAOYSA-N
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