2-Methyl-2-(Nitroperoxy)Propane

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Properties Simple | Detailed

Formula C4H9NO4
IUPAC Name tert-butoxy nitrate
Molecular Mass 135.119 g·mol−1
Heat of Formation -154.0 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 159.6 Å 3
Surface Area 160.06 Å 2
HOMO Energy -10.77 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • (2-methylpropan-2-yl)oxy nitrate
  • nitric acid tert-butoxy ester
  • peroxynitric acid, 1,1-dimethylethyl ester
  • tert-butyl peroxynitrate
CAS Number(s)
  • 42829-58-3
InChIKey DOVINNYOVJDFQY-UHFFFAOYSA-N
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