- InChI
- InChI=1S/C3H2Cl4O2/c4-1-9-2(8)3(5,6)7/h1H2
- InChI Key
- JUBDPPCRYPFPIX-UHFFFAOYSA-N
- Formula
- C3H2Cl4O2
- SMILES
- O=C(OCCl)C(Cl)(Cl)Cl
- Molecular Weight1
- 211.86
- 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 | -438.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.44 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.096 | Crippen Calculated Property | |
| McVol | 109.530 | ml/mol | McGowan Calculated Property |
| Inp | [1012.00; 1038.00] |
|
|
| Inp | 1021.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1031.00 | NIST | |
| I | [1653.00; 1678.00] |
|
|
| I | 1654.00 | NIST | |
| I | 1653.00 | NIST | |
| I | 1657.00 | NIST | |
| I | 1661.00 | NIST | |
| I | 1678.00 | NIST | |
| Tboil | 460.99 | K | Relay (1.0) Calculated Property |
| Tfus | 275.65 | 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 | [176.96; 202.72] | J/mol×K | [472.95; 693.21] |
|
| Cp,gas | 176.96 | J/mol×K | 472.95 | Joback Calculated Property |
| Cp,gas | 182.41 | J/mol×K | 509.66 | Joback Calculated Property |
| Cp,gas | 187.37 | J/mol×K | 546.37 | Joback Calculated Property |
| Cp,gas | 191.86 | J/mol×K | 583.08 | Joback Calculated Property |
| Cp,gas | 195.90 | J/mol×K | 619.79 | Joback Calculated Property |
| Cp,gas | 199.51 | J/mol×K | 656.50 | Joback Calculated Property |
| Cp,gas | 202.72 | J/mol×K | 693.21 | Joback Calculated Property |
| η | [0.0003616; 0.0048272] | Pa×s | [288.00; 472.95] |
|
| η | 0.0048272 | Pa×s | 288.00 | Joback Calculated Property |
| η | 0.0025436 | Pa×s | 318.82 | Joback Calculated Property |
| η | 0.0015006 | Pa×s | 349.65 | Joback Calculated Property |
| η | 0.0009643 | Pa×s | 380.48 | Joback Calculated Property |
| η | 0.0006622 | Pa×s | 411.30 | Joback Calculated Property |
| η | 0.0004791 | Pa×s | 442.12 | Joback Calculated Property |
| η | 0.0003616 | Pa×s | 472.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to chloromethyl trichloroacetate.
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
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