Chemical Properties of Tetrabis(2,2,2-trinitroethyl(orthocarbonate (CAS 14548-58-4)

Tetrabis(2,2,2-trinitroethyl(orthocarbonate

InChI
InChI=1S/C9H8N12O28/c22-10(23)5(11(24)25,12(26)27)1-46-9(47-2-6(13(28)29,14(30)31)15(32)33,48-3-7(16(34)35,17(36)37)18(38)39)49-4-8(19(40)41,20(42)43)21(44)45/h1-4H2
InChI Key
JPTHXHQVODRICI-UHFFFAOYSA-N
Formula
C9H8N12O28
SMILES
O=[N+]([O-])C(COC(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])(OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Molecular Weight1
732.22
CAS
14548-58-4
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Physical Properties

Property Value Unit Source
ΔcH°solid -3918.00 ± 4.20 kJ/mol NIST
ΔfH°solid -766.90 ± 4.20 kJ/mol NIST
ΔfusH° 123.08 kJ/mol Joback Calculated Property
ΔsubH° 179.00 kJ/mol NIST
logPoct/wat -4.400 Crippen Calculated Property
McVol 370.190 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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
Cp,gas [1752.99; 3683.46] J/mol×K [2300.93; 2991.35] Show Hide
Cp,gas 1752.99 J/mol×K 2300.93 Joback Calculated Property
Cp,gas 1953.54 J/mol×K 2416.00 Joback Calculated Property
Cp,gas 2196.79 J/mol×K 2531.07 Joback Calculated Property
Cp,gas 2487.08 J/mol×K 2646.14 Joback Calculated Property
Cp,gas 2828.73 J/mol×K 2761.21 Joback Calculated Property
Cp,gas 3226.08 J/mol×K 2876.28 Joback Calculated Property
Cp,gas 3683.46 J/mol×K 2991.35 Joback Calculated Property

Similar Compounds

Tris(2,2,2-trinitroethyl)orthoformate. 3,5,7-Trioxa-1,1,1,9,9,9-hexanitrononane. Methane,(2-fluoro-2,2-dinitroethoxy)(2,2,2-trinitroethoxy)-. Difluoro-bis(2-fluoro-2,2-dinitroethoxy)methane. 1,1,1-Trinitro-2-ethoxypropane. Butanoic acid, 4,4,4-trinitro-, 2,2,2-trinitroethyl ester. Ethane, 1,1,1-trinitro-. Butyric acid, 4,4,4-trinitro-, ethyl ester. 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane. N-Benzylaminoacetaldehyde diethylacetal. 2,2,2-Trinitro-1-phenylethane. 2,4,6-Tris(2-fluoro-2,2-dinitroethoxy)-1,3,5-triazine. 2,4-Dimethoxy-6-(2-fluoro-2,2-dinitroethoxy)-1,3,5-triazine. 2-Methoxy-4,6-bis(2-fluoro-2,2-dinitroethoxy)-1,3,5-triazine. Sarcosine, N-(3-phenylpropionyl)-, hexyl ester.

Find more compounds similar to Tetrabis(2,2,2-trinitroethyl(orthocarbonate.

Sources

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