1-Isocyanatopentane

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Properties Simple | Detailed

Formula C6H13NO
IUPAC Name oxomethyl(pentyl)azanide
Molecular Mass 115.174 g·mol−1
Heat of Formation -194.6 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 161.21 Å 3
Surface Area 171.83 Å 2
HOMO Energy -10.33 ± 0.55 eV
LUMO Energy 3.52 ± eV
Point Group Symmetry C1
Synonyms
  • n-pentyl isocyanate
  • pentane, 1-isocyanato-
  • pentyl isocyanate
CAS Number(s)
  • 3954-13-0
InChIKey VRVUKQWNRPNACD-UHFFFAOYSA-N
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