Chemical Properties of 1,3,6-TRIAZACYCLOHEPTANE 1,3,6-TRINITRO-

1,3,6-TRIAZACYCLOHEPTANE 1,3,6-TRINITRO-

InChI
InChI=1S/C4H8N6O6/c11-8(12)5-1-2-6(9(13)14)4-7(3-5)10(15)16/h1-4H2
InChI Key
PWEBVDKVPUYMMO-UHFFFAOYSA-N
Formula
C4H8N6O6
SMILES
O=[N+]([O-])N1CCN([N+](=O)[O-])CN([N+](=O)[O-])C1
Molecular Weight1
236.14
Other Names
  • 1,3,6-Triazacycloheptane 1,3,6-trinitro-
  • 1,3,5-Trinitro-1,3,5-triazacycloheptane
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Physical Properties

Property Value Unit Source
ΔfH°gas 174.37 kJ/mol Relay (1.0) Calculated Property
logPoct/wat -1.604 Crippen Calculated Property
McVol 138.560 ml/mol McGowan Calculated Property
Tfus 461.01 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 27.74 kJ/mol 435.90 NIST

Similar Compounds

Imidazoline, 1,3-dinitro-. 1,3-Dinitro-1,3-diazacycloheptane. 1,3-Dinitro-1,3-diazacyclohexane. 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 5-propyl-2,6-dimethyl. 1,1,3,5-Tetranitrohexahydropyrimidine. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 5-butyl-2,6-dimethyl. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 5-ethyl-2,6-dimethyl. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,5,6-trimethyl. Tetrazepam M (hydroxy-), isomer 2, hydrolysis, acetylated. 4,5,6,7-Tetrahydropyrazolo[1,5-d][1,2,4]-triazin-4-one, 2,6-dimethyl. 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate (ester). Cefmetazole. 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cycloheptene. 1«beta»-Acetoxyfuranoeudesm-3-ene.

Find more compounds similar to 1,3,6-TRIAZACYCLOHEPTANE 1,3,6-TRINITRO-.

Sources

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