Chemical Properties of Pentaerythritol Tetranitrate (CAS 78-11-5)

Pentaerythritol Tetranitrate

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InChI
InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2
InChI Key
TZRXHJWUDPFEEY-UHFFFAOYSA-N
Formula
C5H8N4O12
SMILES
O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]
Molecular Weight1
316.14
CAS
78-11-5
Other Names
  • 1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, 1,3-dinitrate
  • 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate
  • 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester)
  • 2,2-Bis[(nitrooxy)methyl]-1,3-propanediol dinitrate (ester)
  • 2,2-bis(hydroxymethyl)-1,3-propanediol tetranitrate
  • Angicap
  • Angitet
  • Antora
  • Arcotrate
  • Baritrate
  • C 2
  • C 2 (explosive)
  • CHOT
  • Cardiacap
  • Deltrate-20
  • Dilcoran-80
  • Dipentrate
  • Duotrate
  • Erinit
  • Extex
  • Hasethrol
  • Kaytrate
  • Lentrat
  • Lowetrate
  • Martrate-45
  • Metranil
  • Mycardol
  • Myotrate 10
  • Neo-Corovas
  • Neopentanetetrayl nitrate
  • Niperyt
  • Niperyth
  • Nitrinal
  • Nitrine
  • Nitro-Riletten
  • Nitrolong
  • Nitropent
  • Nitropenta
  • Nitropenta 7W
  • Nitropentaerythrite
  • Nitropentaerythritol
  • Nitropenton
  • Nitrotalans
  • P.E.T.N.
  • PETN
  • PETN (pentaerythritol tetranitrate)
  • Pen-Tetra
  • Pencard
  • Pentaerithrityl Tetranitrate
  • Pentaerythrityl tetranitrate
  • Pentafilin
  • Pentafin
  • Pentanitrine
  • Pentanitrol
  • Pentestan-80
  • Pentetrate Unicelles
  • Penthrit
  • Penthrite
  • Pentitrate
  • Pentral 80
  • Pentrate
  • Pentrinat
  • Pentrite
  • Pentritol
  • Pentritol tempules
  • Pentryate
  • Pergitral
  • Peridex
  • Peridex-LA
  • Peritrate
  • Perityl
  • Prevangor
  • Quintrate
  • Rythritol
  • Subicard
  • TEN
  • Tanipent
  • Tena
  • Tentrate-20
  • Terpate
  • Tetranitropentaerythrite
  • Tetranitropentaerythritol
  • Tetrasule
  • Tranite D-Lay
  • Vaso-80 Unicelles
  • Vasodiatol
  • Vasolat
  • XTX 8003
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Physical Properties

Property Value Unit Source
Δcsolid [-2572.40; -2569.80] kJ/mol Show Hide
Δcsolid -2572.40 ± 0.80 kJ/mol NIST
Δcsolid -2569.80 ± 2.50 kJ/mol NIST
Δf -283.74 kJ/mol Joback Calculated Property
Δfgas -727.20 kJ/mol Joback Calculated Property
Δfsolid -538.50 ± 0.80 kJ/mol NIST
Δfus 51.49 kJ/mol Joback Calculated Property
Δsub [150.40; 152.00] kJ/mol Show Hide
Δsub 150.40 ± 1.30 kJ/mol NIST
Δsub 152.00 ± 2.00 kJ/mol NIST
Δvap 101.43 kJ/mol Joback Calculated Property
log10WS -2.32 Crippen Calculated Property
logPoct/wat -1.194 Crippen Calculated Property
McVol 174.470 ml/mol McGowan Calculated Property
Pc 3464.28 kPa Joback Calculated Property
Inp [1785.00; 1813.94]   Show Hide
Inp 1805.54 NIST
Inp 1813.94 NIST
Inp 1791.00 NIST
Inp 1785.00 NIST
Inp 1791.00 NIST
Inp 1791.00 NIST
Inp 1805.54 NIST
Inp 1785.00 NIST
Tboil 1007.61 K Joback Calculated Property
Tc 1272.59 K Joback Calculated Property
Tfus 414.10 K Melting...
Vc 0.705 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [538.50; 546.27] J/mol×K [1007.61; 1272.59] Show Hide
Cp,gas 538.50 J/mol×K 1007.61 Joback Calculated Property
Cp,gas 542.46 J/mol×K 1051.77 Joback Calculated Property
Cp,gas 545.06 J/mol×K 1095.94 Joback Calculated Property
Cp,gas 546.27 J/mol×K 1140.10 Joback Calculated Property
Cp,gas 546.09 J/mol×K 1184.26 Joback Calculated Property
Cp,gas 544.50 J/mol×K 1228.43 Joback Calculated Property
Cp,gas 541.50 J/mol×K 1272.59 Joback Calculated Property
ΔsubH [151.90; 156.90] kJ/mol [369.00; 390.50] Show Hide
ΔsubH 156.90 ± 0.80 kJ/mol 369.00 NIST
ΔsubH 151.90 ± 2.10 kJ/mol 390.50 NIST
Psub [2.31e-09; 1.15e-03] kPa [302.20; 382.00] Show Hide
Psub 2.31e-09 kPa 302.20 Sublima...
Psub 9.50e-09 kPa 310.00 Sublima...
Psub 3.02e-08 kPa 315.00 Sublima...
Psub 1.64e-07 kPa 325.40 Sublima...
Psub 3.59e-07 kPa 329.00 Sublima...
Psub 7.31e-07 kPa 333.00 Sublima...
Psub 4.08e-06 kPa 343.30 Sublima...
Psub 5.41e-06 kPa 344.80 Sublima...
Psub 1.28e-05 kPa 350.10 Sublima...
Psub 2.17e-05 kPa 353.30 Sublima...
Psub 3.01e-05 kPa 356.10 Sublima...
Psub 3.53e-05 kPa 356.90 Sublima...
Psub 6.42e-05 kPa 361.10 Sublima...
Psub 7.50e-05 kPa 361.90 Sublima...
Psub 8.52e-05 kPa 363.20 Sublima...
Psub 1.77e-04 kPa 368.10 Sublima...
Psub 2.04e-04 kPa 368.90 Sublima...
Psub 2.08e-04 kPa 369.20 Sublima...
Psub 2.30e-04 kPa 370.00 Sublima...
Psub 3.42e-04 kPa 373.00 Sublima...
Psub 4.46e-04 kPa 374.90 Sublima...
Psub 4.86e-04 kPa 376.20 Sublima...
Psub 5.76e-04 kPa 376.60 Sublima...
Psub 7.62e-04 kPa 379.00 Sublima...
Psub 9.44e-04 kPa 380.50 Sublima...
Psub 9.58e-04 kPa 380.80 Sublima...
Psub 1.15e-03 kPa 382.00 Sublima...

Similar Compounds

1,3-Propanediol, 2-methyl-2-[(nitrooxy)methyl]-, dinitrate (ester). 1,3-Propanediol, 2,2-dimethyl-, dinitrate. 1-Propanol, 2,2-dimethyl-, nitrate. neo-Pentyl nitrite. Nitroisobutanetriol trinitrate. 1,3-Propanediol, 2-methyl-2-n-propyl-, dinitrate. Nitric acid, 2-methylpropyl ester. 1,3-Propanediol, 2-methyl-2-nitro-, dinitrate. 1,3-Propanediol, dinitrate. 1,3-Butanediol dinitrate. 2,2-Dimethyl-3-butyl nitrate. 1,2,3-Propanetriol, 1,3-dinitrate. Pentaerythritol. Nitroglycerin. Isobutyl nitrite.

Find more compounds similar to Pentaerythritol Tetranitrate.

Sources

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