Propionitrile

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Properties Simple | Detailed

Formula C3H5N
IUPAC Name propanenitrile
Molecular Mass 55.078 g·mol−1
Heat of Formation 57.0 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 83.96 Å 3
Surface Area 101.27 Å 2
HOMO Energy -12.28 ± 0.55 eV
LUMO Energy 1.21 ± eV
Point Group Symmetry Cs
Synonyms
  • (c12-c18)alkyl alkoxyethylenenitrile
  • ch3chcn
  • cyanoethane
  • ether cyanatus
  • ethyl cyanide
  • hydrocyanic ether
  • propanenitrile, 3-(c12-18-alkyloxy) derivs.
  • propionic nitrile
  • propionitrile [un2404] [flammable liquid]
  • propiononitrile
  • propylnitrile
CAS Number(s)
  • 68130-67-6
  • 107-12-0
InChIKey FVSKHRXBFJPNKK-UHFFFAOYSA-N
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Elements H C N