Tert-Butylacetonitrile

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Properties Simple | Detailed

Formula C6H11N
IUPAC Name 3,3-dimethylbutanenitrile
Molecular Mass 97.158 g·mol−1
Heat of Formation -17.0 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 150.52 Å 3
Surface Area 150.92 Å 2
HOMO Energy -11.76 ± 0.55 eV
LUMO Energy 4.30 ± eV
Point Group Symmetry Cs
Synonyms
  • 3,3-dimethylbutyronitrile
  • butanenitrile, 3,3-dimethyl-
CAS Number(s)
  • 3302-16-7
InChIKey XFOWYEKVIRMOBI-UHFFFAOYSA-N
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Elements H C N