- InChI
- InChI=1S/C21H18F6O4/c1-3-21(4-2,19(28)30-9-11-5-15(24)17(26)7-13(11)22)20(29)31-10-12-6-16(25)18(27)8-14(12)23/h5-8H,3-4,9-10H2,1-2H3
- InChI Key
- VWLASYAZUMUJTD-UHFFFAOYSA-N
- Formula
- C21H18F6O4
- SMILES
-
CCC(CC)(C(=O)OCc1cc(F)c(F)cc1F
)C(=O)OCc1cc(F)c(F)cc1F - Molecular Weight1
- 448.36
- 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° | -1340.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1747.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.98 | kJ/mol | Joback Calculated Property |
| log10WS | -7.28 | Crippen Calculated Property | |
| logPoct/wat | 5.114 | Crippen Calculated Property | |
| McVol | 284.730 | ml/mol | McGowan Calculated Property |
| Pc | 1256.59 | kPa | Joback Calculated Property |
| Inp | 2203.00 | NIST | |
| Tboil | 908.09 | K | Joback Calculated Property |
| Tc | 1114.98 | K | Joback Calculated Property |
| Tfus | 604.67 | K | Joback Calculated Property |
| Vc | 1.141 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [877.47; 932.24] | J/mol×K | [908.09; 1114.98] | 
|
| Cp,gas | 877.47 | J/mol×K | 908.09 | Joback Calculated Property |
| Cp,gas | 889.21 | J/mol×K | 942.57 | Joback Calculated Property |
| Cp,gas | 899.87 | J/mol×K | 977.05 | Joback Calculated Property |
| Cp,gas | 909.47 | J/mol×K | 1011.54 | Joback Calculated Property |
| Cp,gas | 918.05 | J/mol×K | 1046.02 | Joback Calculated Property |
| Cp,gas | 925.63 | J/mol×K | 1080.50 | Joback Calculated Property |
| Cp,gas | 932.24 | J/mol×K | 1114.98 | Joback Calculated Property |
Similar Compounds
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Sources
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