- InChI
- InChI=1S/C5H6F2N8O12/c6-4(10(16)17,11(18)19)1-8(14(24)25)3-9(15(26)27)2-5(7,12(20)21)13(22)23/h1-3H2
- InChI Key
- SGOLSSPCBCZHEA-UHFFFAOYSA-N
- Formula
- C5H6F2N8O12
- SMILES
-
O=[N+]([O-])N(CN(CC(F)([N+](=O
)[O-])[N+](=O)[O-])[N+](=O)[O- ])CC(F)([N+](=O)[O-])[N+](=O)[ O-] - Molecular Weight1
- 408.14
- CAS
- 80308-93-6
- ω : Acentric Factor.
- 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).
- 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 | 0.9171 | Relay (... Calculated Property | |
| ΔfG° | 42.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -297.43 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 74.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.79 | kJ/mol | Relay (... Calculated Property |
| IE | 10.94 | eV | Relay (... Calculated Property |
| log10WS | -5.01 | Relay (... Calculated Property | |
| logPoct/wat | -1.715 | Crippen Calculated Property | |
| McVol | 209.330 | ml/mol | McGowan Calculated Property |
| Pc | 3534.66 | kPa | Joback Calculated Property |
| Tboil | 501.89 | K | Relay (... Calculated Property |
| Tc | 887.09 | K | Relay (... Calculated Property |
| Tfus | 450.06 | K | Relay (... Calculated Property |
| Vc | 0.689 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [681.69; 751.54] | J/mol×K | [1241.80; 1537.01] | 
|
| Cp,gas | 681.69 | J/mol×K | 1241.80 | Joback Calculated Property |
| Cp,gas | 689.76 | J/mol×K | 1291.00 | Joback Calculated Property |
| Cp,gas | 698.88 | J/mol×K | 1340.20 | Joback Calculated Property |
| Cp,gas | 709.34 | J/mol×K | 1389.40 | Joback Calculated Property |
| Cp,gas | 721.41 | J/mol×K | 1438.61 | Joback Calculated Property |
| Cp,gas | 735.38 | J/mol×K | 1487.81 | Joback Calculated Property |
| Cp,gas | 751.54 | J/mol×K | 1537.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane.
Sources
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