2,5-Heptanedione

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Properties Simple | Detailed

Formula C7H12O2
IUPAC Name heptane-2,5-dione
Molecular Mass 128.169 g·mol−1
Heat of Formation -443.7 ± 16.7 kJ·mol−1
Dipole Moment 0.23 ± 1.08 D
Volume 174.41 Å 3
Surface Area 180.79 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy 3.80 ± eV
Point Group Symmetry Cs
Synonyms
  • 3,6-heptanedione
CAS Number(s)
  • 1703-51-1
InChIKey HGRGPAAXHOTBAM-UHFFFAOYSA-N
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