3,3-Dimethylbutanal

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Properties Simple | Detailed

Formula C6H12O
IUPAC Name 3,3-dimethylbutanal
Molecular Mass 100.159 g·mol−1
Heat of Formation -262.7 ± 16.7 kJ·mol−1
Dipole Moment 3.34 ± 1.08 D
Volume 150.31 Å 3
Surface Area 151.3 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy 3.81 ± eV
Point Group Symmetry C1
Synonyms
  • 3,3-dimethylbutyraldehyde
  • butanal, 3,3-dimethyl-
  • tert-butylacetaldehyde
CAS Number(s)
  • 2987-16-8
InChIKey LTNUSYNQZJZUSY-UHFFFAOYSA-N
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Elements H C O