4-Heptylphenol

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Properties Simple | Detailed

Formula C13H20O
IUPAC Name 4-heptylphenol
Molecular Mass 192.297 g·mol−1
Heat of Formation -259.0 ± 16.7 kJ·mol−1
Dipole Moment 1.53 ± 1.08 D
Volume 273.56 Å 3
Surface Area 266.96 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy 3.10 ± eV
Point Group Symmetry C1
Synonyms
  • 4-n-heptylphenol
  • ept
  • heptanyl-p-phenol
  • p-heptylphenol
  • p-hydroxyheptylbenzene
  • phenol, 4-heptyl-
  • phenol, heptyl derivs.
  • sgcut00006
  • to_000013
CAS Number(s)
  • 72624-02-3
  • 1987-50-4
InChIKey KNDDEFBFJLKPFE-UHFFFAOYSA-N
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