- InChI
- InChI=1S/C8H5Cl2F3/c9-6-3-1-2-5(4-6)7(10)8(11,12)13/h1-4,7H
- InChI Key
- AGOGQROXWPGCOG-UHFFFAOYSA-N
- Formula
- C8H5Cl2F3
- SMILES
- FC(F)(F)C(Cl)c1cccc(Cl)c1
- Molecular Weight1
- 229.03
- 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° | -488.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -617.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.97 | kJ/mol | Joback Calculated Property |
| log10WS | -4.23 | Crippen Calculated Property | |
| logPoct/wat | 4.182 | Crippen Calculated Property | |
| McVol | 129.610 | ml/mol | McGowan Calculated Property |
| Pc | 2915.53 | kPa | Joback Calculated Property |
| Inp | [1025.00; 1025.00] |
|
|
| Inp | 1025.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Tboil | 483.10 | K | Joback Calculated Property |
| Tc | 691.45 | K | Joback Calculated Property |
| Tfus | 267.89 | K | Joback Calculated Property |
| Vc | 0.510 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.35; 308.11] | J/mol×K | [483.10; 691.45] |
|
| Cp,gas | 255.35 | J/mol×K | 483.10 | Joback Calculated Property |
| Cp,gas | 266.06 | J/mol×K | 517.83 | Joback Calculated Property |
| Cp,gas | 275.94 | J/mol×K | 552.55 | Joback Calculated Property |
| Cp,gas | 285.03 | J/mol×K | 587.28 | Joback Calculated Property |
| Cp,gas | 293.40 | J/mol×K | 622.00 | Joback Calculated Property |
| Cp,gas | 301.07 | J/mol×K | 656.73 | Joback Calculated Property |
| Cp,gas | 308.11 | J/mol×K | 691.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-3-(1-chloro-2,2,2-trifluoroethyl).
Sources
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