Chemical Properties of Hexahydro-1,3,5-trinitroso-1,3,5-triazine (CAS 13980-04-6)

Hexahydro-1,3,5-trinitroso-1,3,5-triazine

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InChI
InChI=1S/C3H6N6O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H2
InChI Key
HFWOSHMLDRSIDN-UHFFFAOYSA-N
Formula
C3H6N6O3
SMILES
O=NN1CN(N=O)CN(N=O)C1
Molecular Weight1
174.12
CAS
13980-04-6
Other Names
  • 1,3,5-Triazine, hexahydro-1,3,5-trinitroso-
  • 1,3,5-Trinitroso-1,3,5-triazacyclohexane
  • 1,3,5-Trinitroso-1,3,5-triazine, hexahydro-
  • 1,3,5-Trinitrosohexahydro-s-triazine
  • Hexahydro-1,3,5-s-triazine
  • Hexahydro-1,3,5-trinitroso-s-triazine
  • N,N',N''-Trinitroso-1,3,5-hexahydrotriazine
  • TTT
  • Trinitrosotrimethylenetriamine
  • Trinitrosotrimethylentriamin
  • s-Triazine, hexahydro-1,3,5-trinitroso-
Sources

Physical Properties

Property Value Unit Source
Δcsolid [-2323.90; -2313.30] kJ/mol Show Hide
Δcsolid -2316.00 kJ/mol NIST
Δcsolid -2313.30 ± 2.10 kJ/mol NIST
Δcsolid -2323.90 kJ/mol NIST
Δcsolid -2323.90 ± 2.30 kJ/mol NIST
Δfgas 395.00 kJ/mol NIST
Δfsolid 286.00 kJ/mol NIST
Δfsolid 285.90 ± 2.30 kJ/mol NIST
Δsub 134.30 ± 0.70 kJ/mol NIST
Δsub 113.00 kJ/mol NIST
logPoct/wat -0.18 Crippen Calculated Property
Tfus 376.00 ± 1.00 K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 17.78 kJ/mol 367.0 NIST
ΔfusH 3.77 kJ/mol 376.0 NIST
ΔsubH 112.10 kJ/mol 397.0 NIST
ΔfusS 48.45 J/mol×K 367.0 NIST
ΔfusS 10.02 J/mol×K 376.0 NIST

Similar Compounds

1,3,5-Triazine, hexahydro-1,3,5-trinitro-. 1-Nitroso-3,5-dinitro-hexahydro-1,3,5-triazine. Cyclotetramethylenetetranitramine. 1,3,5,7-Tetraazabicyclo[3.3.1]nonane, 3,7-dinitroso-. Methanediamine, N,N'-dimethyl-N,N'-dinitro-. 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. Biuret, 5-(2-chloroethyl)-1-methyl-1-nitroso-. Urea], 1,1'-trimethylenebis[3-methyl-3-nitroso-. Imidazoline, 1,3-dinitro-. Urea, 1,3-diethyl-1-nitroso-. Urea, 1,1'-ethylenebis[3-methyl-3-nitroso-. Urea, n-ethyl-n-nitroso-. 1,3-Dinitro-1,3-diazacyclohexane.

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