- InChI
- InChI=1S/C3H2Cl4O/c4-2(5)1(8)3(6)7/h2-3H
- InChI Key
- DJWVKJAGMVZYFP-UHFFFAOYSA-N
- Formula
- C3H2Cl4O
- SMILES
- O=C(C(Cl)Cl)C(Cl)Cl
- Molecular Weight1
- 195.86
- CAS
- 632-21-3
- Other Names
-
- 1,1,3,3-Tetrachloroacetone
- TCA
- 1,1,3,3-Tetrachloropropanone
- 1,1,3,3-Tetrachloro-2-propanone
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-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 | -264.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.87 | kJ/mol | Joback Calculated Property |
| IE | 10.31 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.163 | Crippen Calculated Property | |
| McVol | 103.660 | ml/mol | McGowan Calculated Property |
| Inp | [999.00; 999.00] |
|
|
| Inp | 999.00 | NIST | |
| Inp | 999.00 | NIST | |
| Tboil | 451.46 | K | Relay (1.0) Calculated Property |
| Tfus | 297.32 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization 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 | [155.87; 179.98] | J/mol×K | [470.75; 692.15] |
|
| Cp,gas | 155.87 | J/mol×K | 470.75 | Joback Calculated Property |
| Cp,gas | 160.73 | J/mol×K | 507.65 | Joback Calculated Property |
| Cp,gas | 165.24 | J/mol×K | 544.55 | Joback Calculated Property |
| Cp,gas | 169.40 | J/mol×K | 581.45 | Joback Calculated Property |
| Cp,gas | 173.23 | J/mol×K | 618.35 | Joback Calculated Property |
| Cp,gas | 176.75 | J/mol×K | 655.25 | Joback Calculated Property |
| Cp,gas | 179.98 | J/mol×K | 692.15 | Joback Calculated Property |
| η | [0.0004274; 0.0062386] | Pa×s | [263.18; 470.75] |
|
| η | 0.0062386 | Pa×s | 263.18 | Joback Calculated Property |
| η | 0.0030785 | Pa×s | 297.77 | Joback Calculated Property |
| η | 0.0017597 | Pa×s | 332.37 | Joback Calculated Property |
| η | 0.0011178 | Pa×s | 366.97 | Joback Calculated Property |
| η | 0.0007677 | Pa×s | 401.56 | Joback Calculated Property |
| η | 0.0005597 | Pa×s | 436.15 | Joback Calculated Property |
| η | 0.0004274 | Pa×s | 470.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propanone, 1,1,3,3-tetrachloro-.
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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