- InChI
- InChI=1S/C6H2F8O2/c7-4(8,6(12,13)14)2(15)1-3(16)5(9,10)11/h1H2
- InChI Key
- MGKBKOFWQWACLM-UHFFFAOYSA-N
- Formula
- C6H2F8O2
- SMILES
-
O=C(CC(=O)C(F)(F)C(F)(F)F)C(F)
(F)F - Molecular Weight1
- 258.06
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 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 | 0.3793 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -2046.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.71 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.275 | Crippen Calculated Property | |
| McVol | 112.700 | ml/mol | McGowan Calculated Property |
| Pc | 2574.11 | kPa | Joback Calculated Property |
| Tboil | 349.50 | K | Relay (1.0) Calculated Property |
| Tc | 495.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.410 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.12; 313.87] | J/mol×K | [429.09; 580.53] | 
|
| Cp,gas | 268.12 | J/mol×K | 429.09 | Joback Calculated Property |
| Cp,gas | 277.24 | J/mol×K | 454.33 | Joback Calculated Property |
| Cp,gas | 285.72 | J/mol×K | 479.57 | Joback Calculated Property |
| Cp,gas | 293.59 | J/mol×K | 504.81 | Joback Calculated Property |
| Cp,gas | 300.89 | J/mol×K | 530.05 | Joback Calculated Property |
| Cp,gas | 307.64 | J/mol×K | 555.29 | Joback Calculated Property |
| Cp,gas | 313.87 | J/mol×K | 580.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,1,5,5,6,6,6-Octafluoro-2,4-hexanedione.
Sources
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