- InChI
- InChI=1S/C3H3Cl3O/c4-1-3(5,6)2-7/h2H,1H2
- InChI Key
- VMVQOWJGWBIGEU-UHFFFAOYSA-N
- Formula
- C3H3Cl3O
- SMILES
- O=CC(Cl)(Cl)CCl
- Molecular Weight1
- 161.41
- CAS
- 7789-90-4
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ΔfusH° | 10.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.62 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.598 | Crippen Calculated Property | |
| McVol | 91.420 | ml/mol | McGowan Calculated Property |
| Tboil | 421.90 | K | Relay (1.0) Calculated Property |
| Tfus | 223.60 ± 0.60 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [143.23; 169.85] | J/mol×K | [425.76; 638.66] | 
|
| Cp,gas | 143.23 | J/mol×K | 425.76 | Joback Calculated Property |
| Cp,gas | 148.81 | J/mol×K | 461.24 | Joback Calculated Property |
| Cp,gas | 153.88 | J/mol×K | 496.73 | Joback Calculated Property |
| Cp,gas | 158.49 | J/mol×K | 532.21 | Joback Calculated Property |
| Cp,gas | 162.66 | J/mol×K | 567.69 | Joback Calculated Property |
| Cp,gas | 166.44 | J/mol×K | 603.17 | Joback Calculated Property |
| Cp,gas | 169.85 | J/mol×K | 638.66 | Joback Calculated Property |
| η | [0.0005272; 0.0055718] | Pa×s | [257.75; 425.76] |
|
| η | 0.0055718 | Pa×s | 257.75 | Joback Calculated Property |
| η | 0.0031025 | Pa×s | 285.75 | Joback Calculated Property |
| η | 0.0019179 | Pa×s | 313.75 | Joback Calculated Property |
| η | 0.0012828 | Pa×s | 341.75 | Joback Calculated Property |
| η | 0.0009119 | Pa×s | 369.76 | Joback Calculated Property |
| η | 0.0006801 | Pa×s | 397.76 | Joback Calculated Property |
| η | 0.0005272 | Pa×s | 425.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,3-trichloropropanal.
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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