- InChI
- InChI=1S/C22H12F6O4/c23-12-7-11(19(27)18(26)8-12)9-31-21(29)13-3-1-2-4-14(13)22(30)32-10-15-16(24)5-6-17(25)20(15)28/h1-8H,9-10H2
- InChI Key
- HBMGJRRVGGKFNE-UHFFFAOYSA-N
- Formula
- C22H12F6O4
- SMILES
-
O=C(OCc1cc(F)cc(F)c1F)c1ccccc1
C(=O)OCc1c(F)ccc(F)c1F - Molecular Weight1
- 454.32
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -1232.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1534.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.44 | kJ/mol | Joback Calculated Property |
| log10WS | -8.17 | Crippen Calculated Property | |
| logPoct/wat | 5.235 | Crippen Calculated Property | |
| McVol | 275.060 | ml/mol | McGowan Calculated Property |
| Pc | 1456.79 | kPa | Joback Calculated Property |
| Inp | 2711.00 | NIST | |
| Tboil | 965.86 | K | Joback Calculated Property |
| Tc | 1187.70 | K | Joback Calculated Property |
| Tfus | 652.46 | K | Joback Calculated Property |
| Vc | 1.099 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [826.46; 862.75] | J/mol×K | [965.86; 1187.70] | 
|
| Cp,gas | 826.46 | J/mol×K | 965.86 | Joback Calculated Property |
| Cp,gas | 835.59 | J/mol×K | 1002.83 | Joback Calculated Property |
| Cp,gas | 843.46 | J/mol×K | 1039.81 | Joback Calculated Property |
| Cp,gas | 850.10 | J/mol×K | 1076.78 | Joback Calculated Property |
| Cp,gas | 855.51 | J/mol×K | 1113.75 | Joback Calculated Property |
| Cp,gas | 859.73 | J/mol×K | 1150.73 | Joback Calculated Property |
| Cp,gas | 862.75 | J/mol×K | 1187.70 | Joback Calculated Property |
Similar Compounds
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Sources
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