Neopentyl Methyl Ketone

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Properties Simple | Detailed

Formula C7H14O
IUPAC Name 4,4-dimethylpentan-2-one
Molecular Mass 114.185 g·mol−1
Heat of Formation -318.0 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 171.25 Å 3
Surface Area 167.81 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 4.02 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-pentanone, 4,4-dimethyl-
  • 4,4-dimethyl-2-pentanone
  • methyl neopentyl ketone
CAS Number(s)
  • 590-50-1
InChIKey AZASWMGVGQEVCS-UHFFFAOYSA-N
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Elements H C O