- InChI
- InChI=1S/C4H5Cl3O2/c5-1-2-9-4(8)3(6)7/h3H,1-2H2
- InChI Key
- HSIYFNKETHDXJA-UHFFFAOYSA-N
- Formula
- C4H5Cl3O2
- SMILES
- O=C(OCCCl)C(Cl)Cl
- Molecular Weight1
- 191.44
- Other Names
-
- Ethanol, 2-chloro, dichloroacetate
- 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.
- I : 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 | -473.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.00 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.572 | Crippen Calculated Property | |
| McVol | 111.380 | ml/mol | McGowan Calculated Property |
| Inp | [1083.00; 1094.00] |
|
|
| Inp | 1083.00 | NIST | |
| Inp | 1083.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1094.00 | NIST | |
| Inp | 1083.00 | NIST | |
| I | [1846.00; 1876.00] |
|
|
| I | 1846.00 | NIST | |
| I | 1870.00 | NIST | |
| I | 1866.00 | NIST | |
| I | 1873.00 | NIST | |
| I | 1876.00 | NIST | |
| I | 1846.00 | NIST | |
| Tboil | 468.93 | K | Relay (1.0) Calculated Property |
| Tfus | 260.33 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [191.28; 227.05] | J/mol×K | [461.19; 663.38] |
|
| Cp,gas | 191.28 | J/mol×K | 461.19 | Joback Calculated Property |
| Cp,gas | 198.12 | J/mol×K | 494.89 | Joback Calculated Property |
| Cp,gas | 204.60 | J/mol×K | 528.59 | Joback Calculated Property |
| Cp,gas | 210.74 | J/mol×K | 562.28 | Joback Calculated Property |
| Cp,gas | 216.52 | J/mol×K | 595.98 | Joback Calculated Property |
| Cp,gas | 221.96 | J/mol×K | 629.68 | Joback Calculated Property |
| Cp,gas | 227.05 | J/mol×K | 663.38 | Joback Calculated Property |
| η | [0.0003239; 0.0060845] | Pa×s | [251.93; 461.19] |
|
| η | 0.0060845 | Pa×s | 251.93 | Joback Calculated Property |
| η | 0.0027722 | Pa×s | 286.81 | Joback Calculated Property |
| η | 0.0014978 | Pa×s | 321.68 | Joback Calculated Property |
| η | 0.0009128 | Pa×s | 356.56 | Joback Calculated Property |
| η | 0.0006077 | Pa×s | 391.44 | Joback Calculated Property |
| η | 0.0004324 | Pa×s | 426.31 | Joback Calculated Property |
| η | 0.0003239 | Pa×s | 461.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-chloroethyl dichloroacetate.
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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