Pentaerythritol Trinitrate

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Properties Simple | Detailed

Formula C5H9N3O10
IUPAC Name [2-(hydroxymethyl)-3-nitrooxy-2-(nitrooxymethyl)propyl] nitrate
Molecular Mass 271.139 g·mol−1
Heat of Formation -542.3 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 270.61 Å 3
Surface Area 258.2 Å 2
HOMO Energy -11.45 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,3-dinitrato-2-nitratomethyl-2-hydroxymethylpropane
  • 1,3-propanediol, 2,2-bis((nitrooxy)methyl)-, mononitrate (ester)
  • 2-hydroxymethyl-2-nitrooxymethylpropane-1,3-diyl dinitrate
  • d05430
  • nitric acid [2-(hydroxymethyl)-3-nitrooxy-2-(nitrooxymethyl)propyl] ester
  • nitric acid [2-methylol-3-nitrooxy-2-(nitrooxymethyl)propyl] ester
  • pentrinitrol
  • pentrinitrol (usan)
  • pet, trinitrate
  • petrin
  • w 2197
  • w-2197
CAS Number(s)
  • 1607-17-6
  • 22026-67-1
InChIKey BRBAEHHXGZRCBK-UHFFFAOYSA-N
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