Methylbenzoate

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Properties Simple | Detailed

Formula C8H8O2
IUPAC Name methyl benzoate
Molecular Mass 136.148 g·mol−1
Heat of Formation -254.1 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 164.78 Å 3
Surface Area 171.08 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry Cs
Synonyms
  • benzoic acid methyl ester
  • benzoic acid, methyl ester
  • clorius
  • clorius (van)
  • essence of niobe
  • methyl benzenecarboxylate
  • methyl benzoate (natural)
  • methyl benzoate [un2938] [keep away from food]
  • niobe oil
  • oil of niobe
  • oniobe oil
  • oxidate le
CAS Number(s)
  • 93-58-3
InChIKey QPJVMBTYPHYUOC-UHFFFAOYSA-N
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