- InChI
- InChI=1S/C21H16F8O4/c1-3-19(4-2,17(30)32-13-9-5-7-11(15(13)22)20(24,25)26)18(31)33-14-10-6-8-12(16(14)23)21(27,28)29/h5-10H,3-4H2,1-2H3
- InChI Key
- AIDICFCJTLQJQN-UHFFFAOYSA-N
- Formula
- C21H16F8O4
- SMILES
-
CCC(CC)(C(=O)Oc1cccc(C(F)(F)F)
c1F)C(=O)Oc1cccc(C(F)(F)F)c1F - Molecular Weight1
- 484.34
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8528 | Relay (1.0) Calculated Property | |
| ΔfG° | -1705.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2177.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.320 | Crippen Calculated Property | |
| McVol | 288.270 | ml/mol | McGowan Calculated Property |
| Pc | 1237.22 | kPa | Joback Calculated Property |
| Inp | 2048.00 | NIST | |
| Tboil | 620.45 | K | Relay (1.0) Calculated Property |
| Tc | 860.97 | K | Relay (1.0) Calculated Property |
| Tfus | 393.34 | K | Relay (1.0) Calculated Property |
| Vc | 1.055 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [896.44; 951.66] | J/mol×K | [890.21; 1095.19] | 
|
| Cp,gas | 896.44 | J/mol×K | 890.21 | Joback Calculated Property |
| Cp,gas | 907.75 | J/mol×K | 924.37 | Joback Calculated Property |
| Cp,gas | 918.11 | J/mol×K | 958.54 | Joback Calculated Property |
| Cp,gas | 927.61 | J/mol×K | 992.70 | Joback Calculated Property |
| Cp,gas | 936.31 | J/mol×K | 1026.86 | Joback Calculated Property |
| Cp,gas | 944.31 | J/mol×K | 1061.03 | Joback Calculated Property |
| Cp,gas | 951.66 | J/mol×K | 1095.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, di(2-fluoro-3-trifluoromethylphenyl) ester.
Sources
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