- InChI
- InChI=1S/C3H3Cl3O2/c4-1-8-3(7)2(5)6/h2H,1H2
- InChI Key
- FVCUMUOCIBFJLZ-UHFFFAOYSA-N
- Formula
- C3H3Cl3O2
- SMILES
- O=C(OCCl)C(Cl)Cl
- Molecular Weight1
- 177.41
- 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 | -455.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.30 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.530 | Crippen Calculated Property | |
| McVol | 97.290 | ml/mol | McGowan Calculated Property |
| Inp | [926.00; 976.00] |
|
|
| Inp | 960.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 976.00 | NIST | |
| I | [1687.00; 1706.00] |
|
|
| I | 1687.00 | NIST | |
| I | 1705.00 | NIST | |
| I | 1695.00 | NIST | |
| I | 1706.00 | NIST | |
| I | 1700.00 | NIST | |
| Tboil | 452.43 | K | Relay (1.0) Calculated Property |
| Tfus | 260.07 | 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 | [155.16; 183.16] | J/mol×K | [438.31; 642.99] |
|
| Cp,gas | 155.16 | J/mol×K | 438.31 | Joback Calculated Property |
| Cp,gas | 160.52 | J/mol×K | 472.42 | Joback Calculated Property |
| Cp,gas | 165.60 | J/mol×K | 506.54 | Joback Calculated Property |
| Cp,gas | 170.41 | J/mol×K | 540.65 | Joback Calculated Property |
| Cp,gas | 174.94 | J/mol×K | 574.76 | Joback Calculated Property |
| Cp,gas | 179.19 | J/mol×K | 608.88 | Joback Calculated Property |
| Cp,gas | 183.16 | J/mol×K | 642.99 | Joback Calculated Property |
| η | [0.0003552; 0.0062973] | Pa×s | [240.66; 438.31] |
|
| η | 0.0062973 | Pa×s | 240.66 | Joback Calculated Property |
| η | 0.0029226 | Pa×s | 273.60 | Joback Calculated Property |
| η | 0.0015997 | Pa×s | 306.54 | Joback Calculated Property |
| η | 0.0009842 | Pa×s | 339.49 | Joback Calculated Property |
| η | 0.0006599 | Pa×s | 372.43 | Joback Calculated Property |
| η | 0.0004721 | Pa×s | 405.37 | Joback Calculated Property |
| η | 0.0003552 | Pa×s | 438.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to chloromethyl 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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