Chemical Properties of Tris(2,2,2-trinitroethyl)orthoformate (CAS 14548-59-5)

Tris(2,2,2-trinitroethyl)orthoformate

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InChI
InChI=1S/C7H7N9O21/c17-8(18)5(9(19)20,10(21)22)1-35-4(36-2-6(11(23)24,12(25)26)13(27)28)37-3-7(14(29)30,15(31)32)16(33)34/h4H,1-3H2
InChI Key
NWWHXKXUBVOXEX-UHFFFAOYSA-N
Formula
C7H7N9O21
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-])([N+](=O)[O-])[N+](=O)[O-]
Molecular Weight1
553.18
CAS
14548-59-5
Sources

Physical Properties

Property Value Unit Source
Δcsolid -3172.00 ± 3.00 kJ/mol NIST
Δf 19.09 kJ/mol Joback Calculated Property
Δfgas -712.84 kJ/mol Joback Calculated Property
Δfsolid -583.00 ± 3.00 kJ/mol NIST
Δfus 93.93 kJ/mol Joback Calculated Property
Δsub 150.00 ± 4.20 kJ/mol NIST
Δvap 183.45 kJ/mol Joback Calculated Property
logPoct/wat -3.23 Crippen Calculated Property
Pc 3199.16 kPa Joback Calculated Property
Tboil 1783.25 K Joback Calculated Property
Tc 2191.14 K Joback Calculated Property
Tfus 1520.09 K Joback Calculated Property
Vc 1.18 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 918.25 J/mol×K 1783.25 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 3
-CH2- 3
>C< 3
-NO2 9

Similar Compounds

Tetrabis(2,2,2-trinitroethyl(orthocarbonate. 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-. Butyric acid, 4,4,4-trinitro-, ethyl ester. Difluoro-bis(2-fluoro-2,2-dinitroethoxy)methane. 2,2,2-Trinitro-1-phenylethane. Fluoropentanitroethane. Ethanol, 2-chloro-2,2-dinitro-. 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. 2,4,6-Tris(2-fluoro-2,2-dinitroethoxy)-1,3,5-triazine.

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