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
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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
log10WS -3.30 Crippen Calculated Property
logPoct/wat -2.081 Crippen Calculated Property
McVol 217.530 ml/mol McGowan 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 0.895 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [670.97; 683.17] J/mol×K [1308.52; 1614.94] Show Hide
Cp,gas 683.17 J/mol×K 1308.52 Joback Calculated Property
Cp,gas 682.51 J/mol×K 1359.59 Joback Calculated Property
Cp,gas 681.13 J/mol×K 1410.66 Joback Calculated Property
Cp,gas 679.16 J/mol×K 1461.73 Joback Calculated Property
Cp,gas 676.73 J/mol×K 1512.80 Joback Calculated Property
Cp,gas 673.96 J/mol×K 1563.87 Joback Calculated Property
Cp,gas 670.97 J/mol×K 1614.94 Joback Calculated Property

Similar Compounds

Tris(2,2,2-trinitroethyl)orthoformate. Methane,(2-fluoro-2,2-dinitroethoxy)(2,2,2-trinitroethoxy)-. Tetrabis(2,2,2-trinitroethyl(orthocarbonate. 1,1,1-Trinitro-2-ethoxypropane. Butanoic acid, 4,4,4-trinitro-, 2,2,2-trinitroethyl ester. Difluoro-bis(2-fluoro-2,2-dinitroethoxy)methane. 1,3-Dioxane, 5-bromo-5-nitro-. N-Benzylaminoacetaldehyde diethyl acetal. Butyric acid, 4,4,4-trinitro-, ethyl ester. 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane. Carfenazine. Acetophenazine. Propiomazine. Dixyrazine. 3,4-Dihydro-3-phenyl-6-(1,1,3,3-tetramethylbutyl)-2h-1,3-benzoxazine.

Find more compounds similar to 3,5,7-Trioxa-1,1,1,9,9,9-hexanitrononane.

Sources

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