2-Chloro-5,5-Dimethyl-1,3-Cyclohexanedione

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Properties Simple | Detailed

Formula C8H11ClO2
IUPAC Name 2-chloro-5,5-dimethyl-cyclohexane-1,3-dione
Molecular Mass 174.625 g·mol−1
Heat of Formation -436.6 ± 16.7 kJ·mol−1
Dipole Moment 5.52 ± 1.08 D
Volume 204.03 Å 3
Surface Area 187.46 Å 2
HOMO Energy -10.44 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-cyclohexanedione, 2-chloro-5,5-dimethyl-
  • 2-chloro-5,5-dimethyl-cyclohexane-1,3-quinone
  • 2-chloro-5,5-dimethylcyclohexane-1,3-dione
  • 2-chlorodimedone
  • chlorodimedone
  • monochlorodimedon
  • monochlorodimedone
CAS Number(s)
  • 7298-89-7
InChIKey VOBIHUAWDXUCPH-UHFFFAOYSA-N
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Elements H C O Cl