Chemical Properties of 3,5,7-Trioxa-1,1,1,9,9,9-hexanitrononane (CAS 80308-91-4)

3,5,7-Trioxa-1,1,1,9,9,9-hexanitrononane

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InChI
InChI=1S/C6H8N6O15/c13-7(14)5(8(15)16,9(17)18)1-25-3-27-4-26-2-6(10(19)20,11(21)22)12(23)24/h1-4H2
InChI Key
YLDAIIBJBDQTQG-UHFFFAOYSA-N
Formula
C6H12N6O15
SMILES
O=[N+]([O-])C(COCOCOCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
Molecular Weight1
408.19
CAS
80308-91-4
Sources

Physical Properties

Property Value Unit Source
Δcsolid -2907.50 ± 0.80 kJ/mol NIST
Δf -96.38 kJ/mol Joback Calculated Property
Δfgas -645.89 kJ/mol Joback Calculated Property
Δfsolid -597.10 ± 1.20 kJ/mol NIST
Δfus 68.20 kJ/mol Joback Calculated Property
Δvap 133.13 kJ/mol Joback Calculated Property
logPoct/wat -2.08 Crippen Calculated Property
Pc 3322.01 kPa Joback Calculated Property
Tboil 1308.52 K Joback Calculated Property
Tc 1614.94 K Joback Calculated Property
Tfus 1090.57 K Joback Calculated Property
Vc 0.90 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 683.17 J/mol×K 1308.52 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
-CH2- 4
>C< 2
-NO2 6

Similar Compounds

Tris(2,2,2-trinitroethyl)orthoformate. Tetrabis(2,2,2-trinitroethyl(orthocarbonate. 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. Ethanol, 2-chloro-2,2-dinitro-. Fluoropentanitroethane. Methane, bromotrinitro-. 1,3-Dioxane, 5-bromo-5-nitro-. Methane, fluorotrinitro-.

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