1,6-Hexanediol Dibenzoate

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Properties Simple | Detailed

Formula C20H22O4
IUPAC Name 6-benzoyloxyhexyl benzoate
Molecular Mass 326.386 g·mol−1
Heat of Formation -582.9 ± 16.7 kJ·mol−1
Dipole Moment 0.04 ± 1.08 D
Volume 404.82 Å 3
Surface Area 386.08 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C2h
Synonyms
  • 6-(benzoyloxy)hexyl benzoate
  • 6-phenylcarbonyloxyhexyl benzoate
  • benzoic acid 6-(benzoyloxy)hexyl ester
  • benzoic acid 6-(oxo-phenylmethoxy)hexyl ester
CAS Number(s)
  • 22915-73-7
InChIKey TYTTZVDFWCBYPG-UHFFFAOYSA-N
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