- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.04; 197.28] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.57200e+01 | |||
| Coefficient B | 2.99800e-01 | |||
| Coefficient C | -2.08700e-04 | |||
| Coefficient D | 5.04600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 123.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 137.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 150.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 161.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 170.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 178.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 185.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 190.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 194.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 197.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0062386; 0.0003876] | Pa×s | [263.18; 484.71] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.11566e+01 | |||
| Coefficient B | 1.60003e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 263.18 | |||
| Temperature range, max. | 484.71 | |||
| η | 0.0062386 | Pa×s | 263.18 | Calculated Property |
| η | 0.0037091 | Pa×s | 287.79 | Calculated Property |
| η | 0.0023935 | Pa×s | 312.41 | Calculated Property |
| η | 0.0016466 | Pa×s | 337.02 | Calculated Property |
| η | 0.0011919 | Pa×s | 361.64 | Calculated Property |
| η | 0.0008991 | Pa×s | 386.25 | Calculated Property |
| η | 0.0007015 | Pa×s | 410.87 | Calculated Property |
| η | 0.0005629 | Pa×s | 435.48 | Calculated Property |
| η | 0.0004624 | Pa×s | 460.10 | Calculated Property |
| η | 0.0003876 | Pa×s | 484.71 | 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
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