Isobutyl Nitrate

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Properties Simple | Detailed

Formula C4H9NO3
IUPAC Name isobutyl nitrate
Molecular Mass 119.119 g·mol−1
Heat of Formation -207.5 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 146.28 Å 3
Surface Area 155.83 Å 2
HOMO Energy -11.52 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylpropyl nitrate
  • nitric acid isobutyl ester
  • nitric acid, 2-methylpropyl ester
  • nitric acid, isobutyl ester
CAS Number(s)
  • 543-29-3
InChIKey LNNXFUZKZLXPOF-UHFFFAOYSA-N
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