1-Nitropentane

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Properties Simple | Detailed

Formula C5H11NO2
IUPAC Name 1-nitropentane
Molecular Mass 117.146 g·mol−1
Heat of Formation -158.8 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 155.92 Å 3
Surface Area 166.58 Å 2
HOMO Energy -11.00 ± 0.55 eV
LUMO Energy 3.00 ± eV
Point Group Symmetry C1
Synonyms
  • pentane, 1-nitro-
  • pentane, 1-nitro- (8ci)(9ci)
  • pentane,1-nitro
CAS Number(s)
  • 628-05-7
InChIKey BVALZCVRLDMXOQ-UHFFFAOYSA-N
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