- InChI
- InChI=1S/C4H4Cl4O2/c5-1-3(9)10-2-4(6,7)8/h1-2H2
- InChI Key
- YGMJDNNRTOLYEH-UHFFFAOYSA-N
- Formula
- C4H4Cl4O2
- SMILES
- O=C(CCl)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 225.88
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-polar retention indices.
- 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 | -487.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.96 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.139 | Crippen Calculated Property | |
| McVol | 123.620 | ml/mol | McGowan Calculated Property |
| Inp | [1227.00; 1227.00] |
|
|
| Inp | 1227.00 | NIST | |
| Inp | 1227.00 | NIST | |
| Tboil | 492.93 | K | Relay (1.0) Calculated Property |
| Tfus | 339.76 | 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 | [215.23; 246.97] | J/mol×K | [513.70; 733.45] |
|
| Cp,gas | 215.23 | J/mol×K | 513.70 | Joback Calculated Property |
| Cp,gas | 221.68 | J/mol×K | 550.32 | Joback Calculated Property |
| Cp,gas | 227.63 | J/mol×K | 586.95 | Joback Calculated Property |
| Cp,gas | 233.12 | J/mol×K | 623.57 | Joback Calculated Property |
| Cp,gas | 238.15 | J/mol×K | 660.20 | Joback Calculated Property |
| Cp,gas | 242.76 | J/mol×K | 696.82 | Joback Calculated Property |
| Cp,gas | 246.97 | J/mol×K | 733.45 | Joback Calculated Property |
| η | [0.0003327; 0.0028944] | Pa×s | [329.10; 513.70] |
|
| η | 0.0028944 | Pa×s | 329.10 | Joback Calculated Property |
| η | 0.0017300 | Pa×s | 359.87 | Joback Calculated Property |
| η | 0.0011213 | Pa×s | 390.63 | Joback Calculated Property |
| η | 0.0007743 | Pa×s | 421.40 | Joback Calculated Property |
| η | 0.0005623 | Pa×s | 452.17 | Joback Calculated Property |
| η | 0.0004254 | Pa×s | 482.93 | Joback Calculated Property |
| η | 0.0003327 | Pa×s | 513.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloroacetic acid, 2,2,2-trichloroethyl 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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