- InChI
- InChI=1S/C6H7Cl2F3O2/c1-2-3-13-4(12)5(7,8)6(9,10)11/h2-3H2,1H3
- InChI Key
- IIBBYIUDWCQOKV-UHFFFAOYSA-N
- Formula
- C6H7Cl2F3O2
- SMILES
- CCCOC(=O)C(Cl)(Cl)C(F)(F)F
- Molecular Weight1
- 239.02
- CAS
- 357-49-3
- 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).
- 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° | -836.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1049.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.83 | kJ/mol | Joback Calculated Property |
| log10WS | -2.77 | Crippen Calculated Property | |
| logPoct/wat | 2.676 | Crippen Calculated Property | |
| McVol | 132.630 | ml/mol | McGowan Calculated Property |
| Pc | 2715.50 | kPa | Joback Calculated Property |
| Tboil | 479.18 | K | Joback Calculated Property |
| Tc | 663.79 | K | Joback Calculated Property |
| Tfus | 295.99 | K | Joback Calculated Property |
| Vc | 0.525 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.69; 329.23] | J/mol×K | [479.18; 663.79] | 
|
| Cp,gas | 280.69 | J/mol×K | 479.18 | Joback Calculated Property |
| Cp,gas | 290.29 | J/mol×K | 509.95 | Joback Calculated Property |
| Cp,gas | 299.24 | J/mol×K | 540.72 | Joback Calculated Property |
| Cp,gas | 307.58 | J/mol×K | 571.49 | Joback Calculated Property |
| Cp,gas | 315.34 | J/mol×K | 602.26 | Joback Calculated Property |
| Cp,gas | 322.54 | J/mol×K | 633.02 | Joback Calculated Property |
| Cp,gas | 329.23 | J/mol×K | 663.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dichloro-3,3,3-trifluoropropionic acid, n-propyl ester.
Sources
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