- 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° | 19.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.49 | 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 | 335.06 | 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 | [214.69; 247.73] | J/mol×K | [495.83; 712.63] |
|
| Cp,gas | 214.69 | J/mol×K | 495.83 | Joback Calculated Property |
| Cp,gas | 221.50 | J/mol×K | 531.96 | Joback Calculated Property |
| Cp,gas | 227.77 | J/mol×K | 568.10 | Joback Calculated Property |
| Cp,gas | 233.50 | J/mol×K | 604.23 | Joback Calculated Property |
| Cp,gas | 238.72 | J/mol×K | 640.37 | Joback Calculated Property |
| Cp,gas | 243.45 | J/mol×K | 676.50 | Joback Calculated Property |
| Cp,gas | 247.73 | J/mol×K | 712.63 | Joback Calculated Property |
| η | [0.0003172; 0.0045018] | Pa×s | [299.27; 495.83] |
|
| η | 0.0045018 | Pa×s | 299.27 | Joback Calculated Property |
| η | 0.0023262 | Pa×s | 332.03 | Joback Calculated Property |
| η | 0.0013533 | Pa×s | 364.79 | Joback Calculated Property |
| η | 0.0008609 | Pa×s | 397.55 | Joback Calculated Property |
| η | 0.0005867 | Pa×s | 430.31 | Joback Calculated Property |
| η | 0.0004221 | Pa×s | 463.07 | Joback Calculated Property |
| η | 0.0003172 | Pa×s | 495.83 | 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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