Chemical Properties of Ethane, 1,1,1-trinitro- (CAS 595-86-8)

Ethane, 1,1,1-trinitro-

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InChI
InChI=1S/C2H3N3O6/c1-2(3(6)7,4(8)9)5(10)11/h1H3
InChI Key
HSYGKEBJFKQOLE-UHFFFAOYSA-N
Formula
C2H3N3O6
SMILES
CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Molecular Weight1
165.06
CAS
595-86-8
Other Names
  • 1,1,1-Trinitroethane
Sources

Physical Properties

Property Value Unit Source
Δf 75.45 kJ/mol Joback Calculated Property
Δfgas -125.64 kJ/mol Joback Calculated Property
Δfus 27.61 kJ/mol Joback Calculated Property
Δvap 68.52 kJ/mol Joback Calculated Property
logPoct/wat -0.51 Crippen Calculated Property
Pc 5446.55 kPa Joback Calculated Property
Tboil 697.45 K Joback Calculated Property
Tc 985.78 K Joback Calculated Property
Tfus 545.55 K Joback Calculated Property
Vc 0.38 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 233.38 J/mol×K 697.45 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-NO2 3
-CH3 1
>C< 1

Similar Compounds

Butyronitrile, 4,4,4-trinitro-. 3,5,7-Trioxa-1,1,1,9,9,9-hexanitrononane. Tris(2,2,2-trinitroethyl)orthoformate. Tetrabis(2,2,2-trinitroethyl(orthocarbonate. Methane, tetranitro-. Butyric acid, 4,4,4-trinitro-, ethyl ester. 2,2,2-Trinitro-1-phenylethane. 1,1,1-Trinitro-2-ethoxypropane. Methane, bromotrinitro-. Methane, fluorotrinitro-. Iodotrinitromethane. Methane, chlorotrinitro-. Methane,(2-fluoro-2,2-dinitroethoxy)(2,2,2-trinitroethoxy)-. 1-Fluoro-1,1-dinitroethane. Propane, 2-nitro-2-nitroso-.

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