Hydrocinnamyl Isobutyrate

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Properties Simple | Detailed

Formula C13H18O2
IUPAC Name 3-phenylpropyl 2-methylpropanoate
Molecular Mass 206.281 g·mol−1
Heat of Formation -389.2 ± 16.7 kJ·mol−1
Dipole Moment 1.66 ± 1.08 D
Volume 276.37 Å 3
Surface Area 268.84 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 3-phenylpropyl isobutyrate
  • 3-phenylpropyl isobutyrate (natural)
  • hydrocinnamyl 2-methylpropanoate
  • isobutyric acid, 3-phenylpropyl ester
  • phenylpropyl 2-methylpropanoate, beta-
  • phenylpropyl isobutyrate
  • propanoic acid, 2-methyl-, 3-phenylpropyl ester
CAS Number(s)
  • 103-58-2
InChIKey VBTAKMZSMFMLGT-UHFFFAOYSA-N
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