Benzyl 2,2-Dimethyloctanoate

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Properties Simple | Detailed

Formula C17H26O2
IUPAC Name benzyl 2,2-dimethyloctanoate
Molecular Mass 262.387 g·mol−1
Heat of Formation -487.8 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 365.1 Å 3
Surface Area 296.99 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethylcaprylic acid benzyl ester
  • 2,2-dimethyloctanoic acid phenylmethyl ester
  • bdot
  • octanoic acid, 2,2-dimethyl-, phenylmethyl ester
  • phenylmethyl 2,2-dimethyloctanoate
CAS Number(s)
  • 81325-79-3
InChIKey ZGWYSKCFFPGGPS-UHFFFAOYSA-N
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Elements H C O