- InChI
- InChI=1S/C4H3Cl2F3O2/c1-11-2(10)3(5,6)4(7,8)9/h1H3
- InChI Key
- CXTHLUIZHFAWKT-UHFFFAOYSA-N
- Formula
- C4H3Cl2F3O2
- SMILES
- COC(=O)C(Cl)(Cl)C(F)(F)F
- Molecular Weight1
- 210.97
- CAS
- 378-68-7
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1060.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.38 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.896 | Crippen Calculated Property | |
| McVol | 104.450 | ml/mol | McGowan Calculated Property |
| Tboil | 378.46 | K | Relay (1.0) Calculated Property |
| Tfus | 238.28 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [200.73; 239.85] | J/mol×K | [415.55; 600.09] | 
|
| Cp,gas | 200.73 | J/mol×K | 415.55 | Joback Calculated Property |
| Cp,gas | 208.68 | J/mol×K | 446.31 | Joback Calculated Property |
| Cp,gas | 216.02 | J/mol×K | 477.06 | Joback Calculated Property |
| Cp,gas | 222.78 | J/mol×K | 507.82 | Joback Calculated Property |
| Cp,gas | 228.99 | J/mol×K | 538.58 | Joback Calculated Property |
| Cp,gas | 234.67 | J/mol×K | 569.33 | Joback Calculated Property |
| Cp,gas | 239.85 | J/mol×K | 600.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propionic acid, 2,2-dichloro-3,3,3-trifluoro-, methyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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