4-Methylbenzyl Hydroperoxide

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Properties Simple | Detailed

Formula C8H10O2
IUPAC Name 1-(hydroperoxymethyl)-4-methyl-benzene
Molecular Mass 138.164 g·mol−1
Heat of Formation -48.9 ± 16.7 kJ·mol−1
Dipole Moment 1.88 ± 1.08 D
Volume 175.44 Å 3
Surface Area 180.54 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(hydroperoxymethyl)-4-methylbenzene
  • hydroperoxide, (4-methylphenyl)methyl
  • p-methylbenzyl hydroperoxide
CAS Number(s)
  • 7523-31-1
InChIKey VCEHMDXCOGIOJJ-UHFFFAOYSA-N
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Elements H C O