- InChI
- InChI=1S/C14H6Cl2F4O2/c15-11-4-2-8(6-12(11)16)22-13(21)9-5-7(17)1-3-10(9)14(18,19)20/h1-6H
- InChI Key
- DVABJYOXKXRNHE-UHFFFAOYSA-N
- Formula
- C14H6Cl2F4O2
- SMILES
-
O=C(Oc1ccc(Cl)c(Cl)c1)c1cc(F)c
cc1C(F)(F)F - Molecular Weight1
- 353.10
- 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° | -780.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -974.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.32 | kJ/mol | Joback Calculated Property |
| log10WS | -6.36 | Crippen Calculated Property | |
| logPoct/wat | 5.370 | Crippen Calculated Property | |
| McVol | 199.600 | ml/mol | McGowan Calculated Property |
| Pc | 2165.35 | kPa | Joback Calculated Property |
| Inp | 1957.00 | NIST | |
| Tboil | 738.00 | K | Joback Calculated Property |
| Tc | 960.76 | K | Joback Calculated Property |
| Tfus | 487.24 | K | Joback Calculated Property |
| Vc | 0.786 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [492.48; 540.44] | J/mol×K | [738.00; 960.76] | 
|
| Cp,gas | 492.48 | J/mol×K | 738.00 | Joback Calculated Property |
| Cp,gas | 502.52 | J/mol×K | 775.13 | Joback Calculated Property |
| Cp,gas | 511.67 | J/mol×K | 812.25 | Joback Calculated Property |
| Cp,gas | 520.00 | J/mol×K | 849.38 | Joback Calculated Property |
| Cp,gas | 527.53 | J/mol×K | 886.51 | Joback Calculated Property |
| Cp,gas | 534.33 | J/mol×K | 923.63 | Joback Calculated Property |
| Cp,gas | 540.44 | J/mol×K | 960.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Fluoro-2-trifluoromethylbenzoic acid, 3,4-dichlorophenyl ester.
Sources
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