2,2-Dimethyl-3-Hexanone

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Properties Simple | Detailed

Formula C8H16O
IUPAC Name 2,2-dimethylhexan-3-one
Molecular Mass 128.212 g·mol−1
Heat of Formation -333.6 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 191.78 Å 3
Surface Area 187.03 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 4.04 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-hexanone, 2,2-dimethyl-
  • tert-butyl propyl ketone
CAS Number(s)
  • 5405-79-8
InChIKey PYCHXHVFOZBVEY-UHFFFAOYSA-N
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Elements H C O