1-Nitrohexane

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Properties Simple | Detailed

Formula C6H13NO2
IUPAC Name 1-nitrohexane
Molecular Mass 131.173 g·mol−1
Heat of Formation -179.5 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 178.33 Å 3
Surface Area 187.44 Å 2
HOMO Energy -10.96 ± 0.55 eV
LUMO Energy 2.97 ± eV
Point Group Symmetry C1
Synonyms
  • hexane, 1-nitro-
  • hexane, nitro-
  • nitrohexane
CAS Number(s)
  • 646-14-0
  • 25495-95-8
InChIKey FEYJIFXFOHFGCC-UHFFFAOYSA-N
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