Isocyanatoethane

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Properties Simple | Detailed

Formula C3H5NO
IUPAC Name isocyanatoethane
Molecular Mass 71.078 g·mol−1
Heat of Formation -124.7 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 93.65 Å 3
Surface Area 112.79 Å 2
HOMO Energy -10.32 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry Cs
Synonyms
  • ethane, isocyanato-
  • ethyl isocyanate
  • ethyl isocyanate [un2481] [flammable liquid]
  • isocyanatoethene
  • isocyanic acid ethyl ester
  • isocyanic acid, ethyl ester
CAS Number(s)
  • 109-90-0
InChIKey WUDNUHPRLBTKOJ-UHFFFAOYSA-N
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