- InChI
- InChI=1S/C6H8F2N6O11/c7-5(10(15)16,11(17)18)2-1-3-9(14(23)24)4-25-6(8,12(19)20)13(21)22/h1-4H2
- InChI Key
- XXYVHYYYUJTAME-UHFFFAOYSA-N
- Formula
- C6H8F2N6O11
- SMILES
-
O=[N+]([O-])N(CCCC(F)([N+](=O)
[O-])[N+](=O)[O-])COC(F)([N+]( =O)[O-])[N+](=O)[O-] - Molecular Weight1
- 378.16
- CAS
- 80308-84-5
- 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 | 0.8853 | Relay (... Calculated Property | |
| ΔcH°solid | [-3136.30; -3136.30] | kJ/mol |
|
| ΔcH°solid | -3136.30 ± 0.80 | kJ/mol | NIST |
| ΔcH°solid | -3136.30 ± 1.30 | kJ/mol | NIST |
| ΔfG° | -200.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.89 | kJ/mol | Relay (... Calculated Property |
| ΔfH°solid | [-727.20; -727.20] | kJ/mol |
|
| ΔfH°solid | -727.20 ± 1.30 | kJ/mol | NIST |
| ΔfH°solid | -727.20 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 63.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.54 | kJ/mol | Relay (... Calculated Property |
| IE | 11.10 | eV | Relay (... Calculated Property |
| log10WS | -4.42 | Relay (... Calculated Property | |
| logPoct/wat | -0.455 | Crippen Calculated Property | |
| McVol | 201.890 | ml/mol | McGowan Calculated Property |
| Pc | 3069.34 | kPa | Joback Calculated Property |
| Tboil | 483.96 | K | Relay (... Calculated Property |
| Tc | 841.31 | K | Relay (... Calculated Property |
| Tfus | 350.11 | K | Relay (... Calculated Property |
| Vc | 0.683 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [650.07; 684.00] | J/mol×K | [1122.82; 1398.94] |
|
| Cp,gas | 650.07 | J/mol×K | 1122.82 | Joback Calculated Property |
| Cp,gas | 655.48 | J/mol×K | 1168.84 | Joback Calculated Property |
| Cp,gas | 660.76 | J/mol×K | 1214.86 | Joback Calculated Property |
| Cp,gas | 666.08 | J/mol×K | 1260.88 | Joback Calculated Property |
| Cp,gas | 671.61 | J/mol×K | 1306.90 | Joback Calculated Property |
| Cp,gas | 677.53 | J/mol×K | 1352.92 | Joback Calculated Property |
| Cp,gas | 684.00 | J/mol×K | 1398.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,8-Difluoro-3-oxa-5-aza-1,1,5,8,8-pentanitrooctane.
Sources
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