3-Hexanone

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Properties Simple | Detailed

Formula C6H12O
IUPAC Name hexan-3-one
Molecular Mass 100.159 g·mol−1
Heat of Formation -287.5 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 147.97 Å 3
Surface Area 157.68 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy 3.99 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-hexanone (natural)
  • 3-oxohexane
  • ethyl propyl ketone
CAS Number(s)
  • 63072-44-6
  • 589-38-8
InChIKey PFCHFHIRKBAQGU-UHFFFAOYSA-N
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Elements H C O