Chemical Properties of 1,3,5-Triazine, hexahydro-1,3,5-trinitro- (CAS 121-82-4)

1,3,5-Triazine, hexahydro-1,3,5-trinitro-

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InChI
InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2
InChI Key
XTFIVUDBNACUBN-UHFFFAOYSA-N
Formula
C3H6N6O6
SMILES
O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])C1
Molecular Weight1
222.12
CAS
121-82-4
Other Names
  • 1,3,5-Triaza-1,3,5-Trinitrocyclohexane
  • 1,3,5-Triazacyclohexane 1,3,5-trinitro-
  • 1,3,5-Triazine, hexahydro-1,3,5-trinitro-
  • 1,3,5-Trinitro-1,3,5-triazacyclohexane
  • 1,3,5-Trinitrohexahydro-1,3,5-triazine
  • 1,3,5-Trinitrohexahydro-s-triazine
  • 1,3,5-Trinitroperhydro-1,3,5-triazine
  • CX 84A
  • Cyclonit
  • Cyclotrimethylenenitramine
  • Cyclotrimethylenetrinitramine
  • Cyklonit
  • Esaidro-1,3,5-trinitro-1,3,5-triazina
  • Geksogen
  • Heksogen
  • Hexahydro-1,3,5-trinitro-1,3,5-triazin
  • Hexahydro-1,3,5-trinitro-1,3,5-triazine
  • Hexahydro-1,3,5-trinitro-s-triazine
  • Hexogeen
  • Hexogen
  • Hexogen (explosive)
  • Hexogen 5W
  • Hexolite
  • NSC 312447
  • PBX(AF) 108
  • PBXW 108(E)
  • PE 4
  • RDX
  • T4
  • Trimethyleentrinitramine
  • Trimethylenetrinitramine
  • Trinitrocyclotrimethylene triamine
  • UN 0072
  • perhydro-1,3,5-trinitro-1,3,5-triazine
  • s-Triazine, hexahydro-1,3,5-trinitro-
  • sym-Trimethylenetrinitramine
Sources

Physical Properties

Property Value Unit Source
Δcsolid [-2120.00; -2092.00] kJ/mol Show Hide
Δcsolid -2120.00 ± 5.00 kJ/mol NIST
Δcsolid -2100.00 kJ/mol NIST
Δcsolid -2092.00 ± 2.10 kJ/mol NIST
Δcsolid -2104.60 ± 2.10 kJ/mol NIST
Δfgas 192.00 kJ/mol NIST
Δfsolid 79.10 ± 5.00 kJ/mol NIST
Δfsolid 61.50 kJ/mol NIST
Δfsolid 66.50 ± 2.10 kJ/mol NIST
Δsub 134.30 kJ/mol NIST
Δsub 112.00 ± 2.00 kJ/mol NIST
logPoct/wat -1.65 Crippen Calculated Property
Tfus 478.50 ± 0.50 K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,solid 248.90 J/mol×K 298.0 NIST
ΔfusH 37.66 kJ/mol 478.2 NIST
ΔfusH 37.66 kJ/mol 478.2 NIST
ΔfusH 35.65 kJ/mol 478.5 NIST
ΔsubH 112.50 ± 0.80 kJ/mol 342.5 NIST
ΔsubH 130.10 kJ/mol 350.0 NIST
ΔvapH 84.40 kJ/mol 513.0 NIST

Similar Compounds

1-Nitroso-3,5-dinitro-hexahydro-1,3,5-triazine. Cyclotetramethylenetetranitramine. Methanediamine, N,N'-dimethyl-N,N'-dinitro-. Hexahydro-1,3,5-trinitroso-1,3,5-triazine. N,N',N"-Trinitro-1,3,5-triazacycloheptane. 1,7-Diacetoxy-2,4,6-trinitro-2,4,6-triazaheptane. N,N'-Dimethyl-N,N'-dinitrourea. Imidazoline, 1,3-dinitro-. 1,3-Dinitro-1,3-diazacyclohexane. 1,3-Dinitro-1,3-diazacycloheptane. 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso-. 1,3-Dinitro-2-imidazolidinone. 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane. 1,1,3,5-Tetranitrohexahydropyrimidine. Biuret, 5-(2-chloroethyl)-1-methyl-1-nitroso-.

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