- InChI
- InChI=1S/C8H5ClF4/c9-7(8(11,12)13)5-1-3-6(10)4-2-5/h1-4,7H
- InChI Key
- AQLDUNZLECVTNU-UHFFFAOYSA-N
- Formula
- C8H5ClF4
- SMILES
- Fc1ccc(C(Cl)C(F)(F)F)cc1
- Molecular Weight1
- 212.57
- Other Names
-
- Benzene, m1-fluoro-4-(1-chloro-2,2,2-trifluoroethyl)
- 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° | -671.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -797.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.77 | kJ/mol | Joback Calculated Property |
| log10WS | -3.88 | Crippen Calculated Property | |
| logPoct/wat | 3.668 | Crippen Calculated Property | |
| McVol | 119.140 | ml/mol | McGowan Calculated Property |
| Pc | 2890.51 | kPa | Joback Calculated Property |
| Inp | [939.00; 939.00] |
|
|
| Inp | 939.00 | NIST | |
| Inp | 939.00 | NIST | |
| Inp | 939.00 | NIST | |
| Tboil | 444.94 | K | Joback Calculated Property |
| Tc | 636.46 | K | Joback Calculated Property |
| Tfus | 238.56 | K | Joback Calculated Property |
| Vc | 0.479 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.49; 293.80] | J/mol×K | [444.94; 636.46] |
|
| Cp,gas | 238.49 | J/mol×K | 444.94 | Joback Calculated Property |
| Cp,gas | 249.46 | J/mol×K | 476.86 | Joback Calculated Property |
| Cp,gas | 259.68 | J/mol×K | 508.78 | Joback Calculated Property |
| Cp,gas | 269.19 | J/mol×K | 540.70 | Joback Calculated Property |
| Cp,gas | 278.02 | J/mol×K | 572.62 | Joback Calculated Property |
| Cp,gas | 286.21 | J/mol×K | 604.54 | Joback Calculated Property |
| Cp,gas | 293.80 | J/mol×K | 636.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-fluoro-4-(1-chloro-2,2,2-trifluoroethyl).
Sources
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