4-Propyl-1,2-Phenylene Diacetate

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Properties Simple | Detailed

Formula C13H16O4
IUPAC Name (2-acetoxy-4-propyl-phenyl) acetate
Molecular Mass 236.264 g·mol−1
Heat of Formation -707.1 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 294.72 Å 3
Surface Area 274.24 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2-acetoxy-5-propyl-phenyl) acetate
  • (2-acetyloxy-5-propyl-phenyl) ethanoate
  • (2-acetyloxy-5-propylphenyl) acetate
  • 1,2-diacetoxy-4-propylbenzene
  • 4-dapb
  • acetic acid (2-acetoxy-5-propylphenyl) ester
CAS Number(s)
  • 89266-70-6
InChIKey ASXCXYNHCRSLLJ-UHFFFAOYSA-N
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