Propyl Nitrate

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Properties Simple | Detailed

Formula C3H7NO3
IUPAC Name propyl nitrate
Molecular Mass 105.093 g·mol−1
Heat of Formation -183.3 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 123.51 Å 3
Surface Area 139.16 Å 2
HOMO Energy -11.55 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry Cs
Synonyms
  • monopropyl nitrate
  • n-propyl nitrate
  • n-propyl nitrate [un1865] [flammable liquid]
  • nitric acid propyl ester
  • nitric acid, propyl ester
CAS Number(s)
  • 627-13-4
InChIKey JNTOKFNBDFMTIV-UHFFFAOYSA-N
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