2-Isocyanato-2-Methylpropane

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Properties Simple | Detailed

Formula C5H9NO
IUPAC Name 2-isocyanato-2-methyl-propane
Molecular Mass 99.131 g·mol−1
Heat of Formation -190.7 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 139.8 Å 3
Surface Area 146.03 Å 2
HOMO Energy -10.31 ± 0.55 eV
LUMO Energy 0.38 ± eV
Point Group Symmetry Cs
Synonyms
  • isocyanic acid, tert-butyl ester
  • propane, 2-isocyanato-2-methyl-
  • t5786387
  • tert-butyl isocyanate
  • tert-butyl isocyanate [un2484] [poison]
CAS Number(s)
  • 1609-86-5
  • 44584-76-1
InChIKey MGOLNIXAPIAKFM-UHFFFAOYSA-N
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