- InChI
- InChI=1S/C4H4Cl4O2/c5-1-2-10-3(9)4(6,7)8/h1-2H2
- InChI Key
- LZAFIYKPGDSKLN-UHFFFAOYSA-N
- Formula
- C4H4Cl4O2
- SMILES
- O=C(OCCCl)C(Cl)(Cl)Cl
- Molecular Weight1
- 225.89
- 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.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -452.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.82 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.139 | Crippen Calculated Property | |
| McVol | 123.620 | ml/mol | McGowan Calculated Property |
| Inp | [1139.00; 1172.00] |
|
|
| Inp | 1148.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1172.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Ip | [1836.00; 1873.00] |
|
|
| Ip | 1836.00 | NIST | |
| Ip | 1849.00 | NIST | |
| Ip | 1852.00 | NIST | |
| Ip | 1859.00 | NIST | |
| Ip | 1873.00 | NIST | |
| Tboil | 478.48 | K | Relay (1.0) Calculated Property |
| Tfus | 268.64 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [158.83; 268.35] | 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 | 5.17520e+01 | |||
| Coefficient B | 4.82000e-01 | |||
| Coefficient C | -3.52600e-04 | |||
| Coefficient D | 8.72000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 158.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 182.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 201.78 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 218.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 232.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 243.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 252.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 259.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 264.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 268.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045018; 0.0003095] | Pa×s | [299.27; 498.84] |
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 | -1.20950e+01 | |||
| Coefficient B | 2.00262e+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. | 299.27 | |||
| Temperature range, max. | 498.84 | |||
| η | 0.0045018 | Pa×s | 299.27 | Calculated Property |
| η | 0.0028373 | Pa×s | 321.44 | Calculated Property |
| η | 0.0018980 | Pa×s | 343.62 | Calculated Property |
| η | 0.0013331 | Pa×s | 365.79 | Calculated Property |
| η | 0.0009749 | Pa×s | 387.97 | Calculated Property |
| η | 0.0007375 | Pa×s | 410.14 | Calculated Property |
| η | 0.0005741 | Pa×s | 432.32 | Calculated Property |
| η | 0.0004580 | Pa×s | 454.49 | Calculated Property |
| η | 0.0003731 | Pa×s | 476.67 | Calculated Property |
| η | 0.0003095 | Pa×s | 498.84 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanol, 2-chloro, 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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