Chemical Properties of Butanoic acid, 4,4,4-trinitro-, 2,2,2-trinitroethyl ester (CAS 866-65-9)

Butanoic acid, 4,4,4-trinitro-, 2,2,2-trinitroethyl ester

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InChI
InChI=1S/C6H6N6O14/c13-4(1-2-5(7(14)15,8(16)17)9(18)19)26-3-6(10(20)21,11(22)23)12(24)25/h1-3H2
InChI Key
IAVWMTSJZOZYCU-UHFFFAOYSA-N
Formula
C6H6N6O14
SMILES
O=C(CCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Molecular Weight1
386.14
CAS
866-65-9
Other Names
  • 4,4,4-Trinitrobutyric acid 2,2,2-trinitroethyl ester
  • Butyric acid, 4,4,4-trinitro-, 2,2,2-trinitroethyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -15.30 kJ/mol Joback Calculated Property
Δfgas -494.03 kJ/mol Joback Calculated Property
Δfus 67.42 kJ/mol Joback Calculated Property
Δvap 135.06 kJ/mol Joback Calculated Property
logPoct/wat -1.72 Crippen Calculated Property
Pc 3727.11 kPa Joback Calculated Property
Tboil 1317.55 K Joback Calculated Property
Tc 1631.23 K Joback Calculated Property
Tfus 1096.04 K Joback Calculated Property
Vc 0.87 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 646.20 J/mol×K 1317.55 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-NO2 6
>C=O (nonring) 1
>C< 2
-CH2- 3

Similar Compounds

Butyric acid, 4,4,4-trinitro-, ethyl ester. 1,1,1-Trinitro-2-ethoxypropane. 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,(2-fluoro-2,2-dinitroethoxy)(2,2,2-trinitroethoxy)-. Fluoropentanitroethane. Ethane, 1,1,1-trinitro-. Jaconine. Riddelliine. Cyclopentyl-hydroxy-phenyl-acetic acid 1-methyl-pyrrolidin-3-yl ester. Senecicannabine. 1-Methyl-3-piperidyl cyclopentylphenylglycolate. 18-OH-GA34 methyl ester TMS ether.

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