2-Isocyanatopropane

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Properties Simple | Detailed

Formula C4H9NO
IUPAC Name 2-isocyanatopropane
Molecular Mass 87.120 g·mol−1
Heat of Formation -154.8 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 118.18 Å 3
Surface Area 131.7 Å 2
HOMO Energy -10.34 ± 0.55 eV
LUMO Energy 0.33 ± eV
Point Group Symmetry Cs
Synonyms
  • isocyanic acid, isopropyl ester
  • isopropyl isocyanate
  • isopropyl isocyanate [un2483] [flammable liquid]
  • isopropylisocyanate
  • propane, 2-isocyanato-
CAS Number(s)
  • 1795-48-8
InChIKey GSLTVFIVJMCNBH-UHFFFAOYSA-N
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