1-Nitrooctane

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Properties Simple | Detailed

Formula C8H17NO2
IUPAC Name 1-nitrooctane
Molecular Mass 159.226 g·mol−1
Heat of Formation -222.8 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 222.74 Å 3
Surface Area 227.07 Å 2
HOMO Energy -10.97 ± 0.55 eV
LUMO Energy 2.99 ± eV
Point Group Symmetry C1
Synonyms
  • 1-nitro octane
  • octane, 1-nitro-
CAS Number(s)
  • 629-37-8
InChIKey KLGHUFNKRIWCDQ-UHFFFAOYSA-N
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