Chemical Properties of 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane (CAS 80308-82-3)

1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane

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InChI
InChI=1S/C5H6F2N6O11/c6-4(9(14)15,10(16)17)1-8(13(22)23)3-24-2-5(7,11(18)19)12(20)21/h1-3H2
InChI Key
SOLZWBGEHVEJDE-UHFFFAOYSA-N
Formula
C5H6F2N6O11
SMILES
O=[N+]([O-])N(COCC(F)([N+](=O)[O-])[N+](=O)[O-])CC(F)([N+](=O)[O-])[N+](=O)[O-]
Molecular Weight1
364.13
CAS
80308-82-3
Sources

Physical Properties

Property Value Unit Source
Δcsolid -2520.00 ± 4.60 kJ/mol NIST
Δf -209.19 kJ/mol Joback Calculated Property
Δfgas -674.74 kJ/mol Joback Calculated Property
Δfsolid -664.00 ± 4.60 kJ/mol NIST
Δfus 61.05 kJ/mol Joback Calculated Property
Δvap 109.91 kJ/mol Joback Calculated Property
logPoct/wat -1.19 Crippen Calculated Property
Pc 3423.86 kPa Joback Calculated Property
Tboil 1099.94 K Joback Calculated Property
Tc 1378.78 K Joback Calculated Property
Tfus 924.88 K Joback Calculated Property
Vc 0.78 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 593.67 J/mol×K 1099.94 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 2
-NO2 5
-CH2- 3
>N- 1
>C< 2

Similar Compounds

1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane). 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane. 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane. 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane. 2-Phenyl-3-benzofuranyl penicillin, sodium salt. AJMALINE, M(HO-), AC. Cyanocobalamin. Strychnine. Ajmaline. AJMALINE, AC. AJMALINE, M(NOR-), AC. d3-morphine, di-TMS. AJMALINE, M(DIHYDRO-), AC. Brucine. Nalmefene, bis(trifluoroacetate).

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