Chemical Properties of Butyric acid, 4,4,4-trinitro-, ethyl ester (CAS 15421-42-8)

Butyric acid, 4,4,4-trinitro-, ethyl ester

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InChI
InChI=1S/C6H9N3O8/c1-2-17-5(10)3-4-6(7(11)12,8(13)14)9(15)16/h2-4H2,1H3
InChI Key
FUAMTTZWZQPBFS-UHFFFAOYSA-N
Formula
C6H9N3O8
SMILES
CCOC(=O)CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Molecular Weight1
251.15
CAS
15421-42-8
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3133.00 kJ/mol NIST
Δf -124.79 kJ/mol Joback Calculated Property
Δfgas -453.00 kJ/mol Joback Calculated Property
Δfus 40.75 kJ/mol Joback Calculated Property
Δvap 86.58 kJ/mol Joback Calculated Property
logPoct/wat -0.19 Crippen Calculated Property
Pc 3488.88 kPa Joback Calculated Property
Tboil 865.26 K Joback Calculated Property
Tc 1125.47 K Joback Calculated Property
Tfus 662.79 K Joback Calculated Property
Vc 0.63 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 455.19 J/mol×K 865.26 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
-NO2 3
-CH2- 3
>C< 1
-CH3 1

Similar Compounds

Butanoic acid, 4,4,4-trinitro-, 2,2,2-trinitroethyl ester. Butyronitrile, 4,4,4-trinitro-. 1,1,1-Trinitro-2-ethoxypropane. Ethane, 1,1,1-trinitro-. 3,5,7-Trioxa-1,1,1,9,9,9-hexanitrononane. Tris(2,2,2-trinitroethyl)orthoformate. Butanoic acid, 4-nitro-, methyl ester. Tetrabis(2,2,2-trinitroethyl(orthocarbonate. Methane,(2-fluoro-2,2-dinitroethoxy)(2,2,2-trinitroethoxy)-. Pentanoic acid, 4-methyl-4-nitro-, methyl ester. Fluoropentanitroethane. 2,2,2-Trinitro-1-phenylethane. 1,1,4,4-Tetranitrocyclohexane. Ethyl 4-isothiocyanatobutyrate. .GAMMA.-aminobutyric acid, n-isobutoxycarbonyl-, pentyl ester.

Find more compounds similar to Butyric acid, 4,4,4-trinitro-, ethyl ester.

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