N-Octylisocyanate

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Properties Simple | Detailed

Formula C9H17NO
IUPAC Name 1-isocyanatooctane
Molecular Mass 155.237 g·mol−1
Heat of Formation -253.3 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 225.33 Å 3
Surface Area 233.57 Å 2
HOMO Energy -10.31 ± 0.55 eV
LUMO Energy 0.54 ± eV
Point Group Symmetry Cs
Synonyms
  • isocyanic acid, octyl ester
  • octane, 1-isocyanato-
  • octyl isocyanate
CAS Number(s)
  • 3158-26-7
InChIKey DYQFCTCUULUMTQ-UHFFFAOYSA-N
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