1-Isocyanato-4-Methyl-Pentane

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Properties Simple | Detailed

Formula C7H13NO
IUPAC Name 1-isocyanato-4-methyl-pentane
Molecular Mass 127.184 g·mol−1
Heat of Formation -217.0 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 183.31 Å 3
Surface Area 187.29 Å 2
HOMO Energy -10.32 ± 0.55 eV
LUMO Energy 3.53 ± eV
Point Group Symmetry C1
Synonyms
  • n-(4-methylpentyl)methanamide
  • n-isohexylformamide
InChIKey LMLMXIWHWBZEGF-UHFFFAOYSA-N
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