- InChI
- InChI=1S/C5H4Cl4O2/c6-2-1-3-11-4(10)5(7,8)9/h1-2H,3H2/b2-1+
- InChI Key
- KPJDOQORQYKCEB-OWOJBTEDSA-N
- Formula
- C5H4Cl4O2
- SMILES
- O=C(OCC=CCl)C(Cl)(Cl)Cl
- Molecular Weight1
- 237.90
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -378.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.88 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.652 | Crippen Calculated Property | |
| McVol | 133.410 | ml/mol | McGowan Calculated Property |
| Inp | [1261.00; 1261.00] |
|
|
| Inp | 1261.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Tboil | 483.92 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 | [235.58; 269.75] | J/mol×K | [522.87; 746.40] |
|
| Cp,gas | 235.58 | J/mol×K | 522.87 | Joback Calculated Property |
| Cp,gas | 242.82 | J/mol×K | 560.12 | Joback Calculated Property |
| Cp,gas | 249.38 | J/mol×K | 597.38 | Joback Calculated Property |
| Cp,gas | 255.31 | J/mol×K | 634.63 | Joback Calculated Property |
| Cp,gas | 260.65 | J/mol×K | 671.89 | Joback Calculated Property |
| Cp,gas | 265.45 | J/mol×K | 709.14 | Joback Calculated Property |
| Cp,gas | 269.75 | J/mol×K | 746.40 | Joback Calculated Property |
| η | [0.0002332; 0.0039202] | Pa×s | [305.46; 522.87] |
|
| η | 0.0039202 | Pa×s | 305.46 | Joback Calculated Property |
| η | 0.0019088 | Pa×s | 341.70 | Joback Calculated Property |
| η | 0.0010669 | Pa×s | 377.93 | Joback Calculated Property |
| η | 0.0006603 | Pa×s | 414.17 | Joback Calculated Property |
| η | 0.0004414 | Pa×s | 450.40 | Joback Calculated Property |
| η | 0.0003133 | Pa×s | 486.63 | Joback Calculated Property |
| η | 0.0002332 | Pa×s | 522.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid, 3-chloroprop-2-enyl 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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