- InChI
- InChI=1S/C10H5Cl3F4O2/c11-9(12,13)4-19-8(18)5-1-2-6(7(14)3-5)10(15,16)17/h1-3H,4H2
- InChI Key
- QEDVZDHKDKWUNB-UHFFFAOYSA-N
- Formula
- C10H5Cl3F4O2
- SMILES
-
O=C(OCC(Cl)(Cl)Cl)c1ccc(C(F)(F
)F)c(F)c1 - Molecular Weight1
- 339.50
- 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° | -916.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1130.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.91 | kJ/mol | Joback Calculated Property |
| log10WS | -5.13 | Crippen Calculated Property | |
| logPoct/wat | 4.372 | Crippen Calculated Property | |
| McVol | 179.240 | ml/mol | McGowan Calculated Property |
| Pc | 2302.53 | kPa | Joback Calculated Property |
| Inp | 1527.00 | NIST | |
| Tboil | 644.04 | K | Joback Calculated Property |
| Tc | 854.96 | K | Joback Calculated Property |
| Tfus | 423.04 | K | Joback Calculated Property |
| Vc | 0.709 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [411.56; 455.58] | J/mol×K | [644.04; 854.96] | 
|
| Cp,gas | 411.56 | J/mol×K | 644.04 | Joback Calculated Property |
| Cp,gas | 420.71 | J/mol×K | 679.19 | Joback Calculated Property |
| Cp,gas | 429.07 | J/mol×K | 714.35 | Joback Calculated Property |
| Cp,gas | 436.68 | J/mol×K | 749.50 | Joback Calculated Property |
| Cp,gas | 443.59 | J/mol×K | 784.65 | Joback Calculated Property |
| Cp,gas | 449.88 | J/mol×K | 819.80 | Joback Calculated Property |
| Cp,gas | 455.58 | J/mol×K | 854.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,2-trichloroethyl ester.
Sources
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