Methylbenzo(E)Pyrene

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Properties Simple | Detailed

Formula C21H14
IUPAC Name 8-methylbenzo[e]pyrene
Molecular Mass 266.336 g·mol−1
Heat of Formation 301.9 ± 16.7 kJ·mol−1
Dipole Moment 0.80 ± 1.08 D
Volume 315.05 Å 3
Surface Area 277.66 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
Synonyms
  • 1-mbep
  • 1-methylbenzo(e)pyrene
  • benzo(e)pyrene, 1-methyl-
CAS Number(s)
  • 80251-98-5
InChIKey XDJHCQPWMRCILL-UHFFFAOYSA-N
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Elements H C