Pentamethylacetone

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Properties Simple | Detailed

Formula C8H16O
IUPAC Name 2,2,4-trimethylpentan-3-one
Molecular Mass 128.212 g·mol−1
Heat of Formation -334.3 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 194.67 Å 3
Surface Area 181.33 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy 4.05 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2,4-trimethyl-3-pentanone
  • 3-pentanone, 2,2,4-trimethyl-
  • isopropyl tert-butyl ketone
  • tert-butyl isopropyl ketone
CAS Number(s)
  • 5857-36-3
InChIKey OVCHQRXVZXVQNQ-UHFFFAOYSA-N
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Elements H C O