5-Methylhexanenitrile

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Properties Simple | Detailed

Formula C7H13N
IUPAC Name 5-methylhexanenitrile
Molecular Mass 111.185 g·mol−1
Heat of Formation -29.3 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 172.24 Å 3
Surface Area 177.33 Å 2
HOMO Energy -11.52 ± 0.55 eV
LUMO Energy 4.23 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 19424-34-1
InChIKey CHWIKAJVZUSSML-UHFFFAOYSA-N
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Elements H C N