- InChI
- InChI=1S/C6H8F2N8O12/c7-5(11(17)18,12(19)20)3-9(15(25)26)1-2-10(16(27)28)4-6(8,13(21)22)14(23)24/h1-4H2
- InChI Key
- CEKYSAGUWBZXMH-UHFFFAOYSA-N
- Formula
- C6H8F2N8O12
- SMILES
-
O=[N+]([O-])N(CCN(CC(F)([N+](=
O)[O-])[N+](=O)[O-])[N+](=O)[O -])CC(F)([N+](=O)[O-])[N+](=O) [O-] - Molecular Weight1
- 422.17
- CAS
- 28820-56-6
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.9671 | Relay (... Calculated Property | |
| ΔcH°solid | -3335.20 ± 4.60 | kJ/mol | NIST |
| ΔfG° | 50.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -339.83 | kJ/mol | Relay (... Calculated Property |
| ΔfH°solid | -527.80 ± 4.60 | kJ/mol | NIST |
| ΔfusH° | 76.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.15 | kJ/mol | Relay (... Calculated Property |
| IE | 11.33 | eV | Relay (... Calculated Property |
| log10WS | -4.92 | Relay (... Calculated Property | |
| logPoct/wat | -1.673 | Crippen Calculated Property | |
| McVol | 223.420 | ml/mol | McGowan Calculated Property |
| Pc | 3163.27 | kPa | Joback Calculated Property |
| Tboil | 510.91 | K | Relay (... Calculated Property |
| Tc | 893.80 | K | Relay (... Calculated Property |
| Tfus | 430.95 | K | Relay (... Calculated Property |
| Vc | 0.736 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [741.63; 819.67] | J/mol×K | [1264.68; 1559.15] | 
|
| Cp,gas | 741.63 | J/mol×K | 1264.68 | Joback Calculated Property |
| Cp,gas | 750.82 | J/mol×K | 1313.76 | Joback Calculated Property |
| Cp,gas | 761.15 | J/mol×K | 1362.84 | Joback Calculated Property |
| Cp,gas | 772.91 | J/mol×K | 1411.91 | Joback Calculated Property |
| Cp,gas | 786.39 | J/mol×K | 1460.99 | Joback Calculated Property |
| Cp,gas | 801.88 | J/mol×K | 1510.07 | Joback Calculated Property |
| Cp,gas | 819.67 | J/mol×K | 1559.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane.
Sources
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