Chemical Properties of Butyronitrile, 4,4,4-trinitro- (CAS 15473-29-7)

Butyronitrile, 4,4,4-trinitro-

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InChI
InChI=1S/C4H4N4O6/c5-3-1-2-4(6(9)10,7(11)12)8(13)14/h1-2H2
InChI Key
XOUYZYXSMDSAOU-UHFFFAOYSA-N
Formula
C4H4N4O6
SMILES
N#CCCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Molecular Weight1
204.10
CAS
15473-29-7
Sources

Physical Properties

Property Value Unit Source
Δf 225.47 kJ/mol Joback Calculated Property
Δfgas -2.04 kJ/mol Joback Calculated Property
Δfus 34.29 kJ/mol Joback Calculated Property
Δvap 83.45 kJ/mol Joback Calculated Property
logPoct/wat -0.23 Crippen Calculated Property
Pc 4046.64 kPa Joback Calculated Property
Tboil 845.29 K Joback Calculated Property
Tc 1126.15 K Joback Calculated Property
Tfus 633.08 K Joback Calculated Property
Vc 0.52 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 326.21 J/mol×K 845.29 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CN 1
-CH2- 2
>C< 1
-NO2 3

Similar Compounds

Butyric acid, 4,4,4-trinitro-, ethyl ester. Ethane, 1,1,1-trinitro-. 1,1,1-Trinitro-2-ethoxypropane. Butanoic acid, 4,4,4-trinitro-, 2,2,2-trinitroethyl ester. 3,5,7-Trioxa-1,1,1,9,9,9-hexanitrononane. Tris(2,2,2-trinitroethyl)orthoformate. Tetrabis(2,2,2-trinitroethyl(orthocarbonate. Methane,(2-fluoro-2,2-dinitroethoxy)(2,2,2-trinitroethoxy)-. 2,2,2-Trinitro-1-phenylethane. 1,1,4,4-Tetranitrocyclohexane. Fluoropentanitroethane. Methane, tetranitro-. Methane, fluorotrinitro-. Iodotrinitromethane. 1-Fluoro-1,1-dinitroethane.

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