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

Tetrabis(2,2,2-trinitroethyl(orthocarbonate

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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
Sources

Physical Properties

Property Value Unit Source
Δcsolid -3918.00 ± 4.20 kJ/mol NIST
Δf 45.70 kJ/mol Joback Calculated Property
Δfgas -930.84 kJ/mol Joback Calculated Property
Δfsolid -766.90 ± 4.20 kJ/mol NIST
Δfus 123.08 kJ/mol Joback Calculated Property
Δsub 179.00 kJ/mol NIST
Δvap 237.88 kJ/mol Joback Calculated Property
logPoct/wat -4.40 Crippen Calculated Property
Pc 2738.28 kPa Joback Calculated Property
Tboil 2300.93 K Joback Calculated Property
Tc 2991.35 K Joback Calculated Property
Tfus 2015.53 K Joback Calculated Property
Vc 1.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1752.99 J/mol×K 2300.93 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 4
-CH2- 4
>C< 5
-NO2 12

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)-. 1,1,1-Trinitro-2-ethoxypropane. Ethane, 1,1,1-trinitro-. Butanoic acid, 4,4,4-trinitro-, 2,2,2-trinitroethyl ester. Butyronitrile, 4,4,4-trinitro-. Difluoro-bis(2-fluoro-2,2-dinitroethoxy)methane. Butyric acid, 4,4,4-trinitro-, ethyl ester. 2,2,2-Trinitro-1-phenylethane. Fluoropentanitroethane. Ethanol, 2-chloro-2,2-dinitro-. 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane. 2,4-Dimethoxy-6-(2-fluoro-2,2-dinitroethoxy)-1,3,5-triazine. 2,4,6-Tris(2-fluoro-2,2-dinitroethoxy)-1,3,5-triazine.

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