2-Methyl-3-Heptanone

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Properties Simple | Detailed

Formula C8H16O
IUPAC Name 2-methylheptan-3-one
Molecular Mass 128.212 g·mol−1
Heat of Formation -331.0 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 192.53 Å 3
Surface Area 194.47 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 4.00 ± eV
Point Group Symmetry C1
Synonyms
  • 3-heptanone, 2-methyl-
  • 3-heptanone, 2-methyl- (8ci)(9ci)
  • butyl isopropyl ketone
CAS Number(s)
  • 13019-20-0
InChIKey XYYMFUCZDNNGFS-UHFFFAOYSA-N
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Elements H C O