Phenethyl Isocyanate

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Properties Simple | Detailed

Formula C9H9NO
IUPAC Name 2-isocyanatoethylbenzene
Molecular Mass 147.174 g·mol−1
Heat of Formation -11.0 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 189.27 Å 3
Surface Area 190.42 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2-isocyanatoethyl)benzene
  • phenylethyl isocyanate
CAS Number(s)
  • 1943-82-4
InChIKey HACRKYQRZABURO-UHFFFAOYSA-N
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