- InChI
- InChI=1S/C5H4Cl4O2/c6-2-1-3-11-4(10)5(7,8)9/h1-2H,3H2/b2-1+
- InChI Key
- KPJDOQORQYKCEB-OWOJBTEDSA-N
- Formula
- C5H4Cl4O2
- SMILES
- O=C(OCC=CCl)C(Cl)(Cl)Cl
- Molecular Weight1
- 237.90
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -378.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.88 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.652 | Crippen Calculated Property | |
| McVol | 133.410 | ml/mol | McGowan Calculated Property |
| Inp | [1261.00; 1261.00] |
|
|
| Inp | 1261.00 | NIST | |
| Inp | 1261.00 | NIST | |
| Tboil | 483.92 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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 | [166.04; 289.36] | 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 | 3.66610e+01 | |||
| Coefficient B | 5.97000e-01 | |||
| Coefficient C | -4.90800e-04 | |||
| Coefficient D | 1.46500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 166.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 192.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 215.43 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 234.02 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 249.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 261.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 270.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 278.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 284.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 289.36 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0039202; 0.0002339] | Pa×s | [305.46; 522.48] |
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 | -1.23282e+01 | |||
| Coefficient B | 2.07302e+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. | 305.46 | |||
| Temperature range, max. | 522.48 | |||
| η | 0.0039202 | Pa×s | 305.46 | Calculated Property |
| η | 0.0023860 | Pa×s | 329.57 | Calculated Property |
| η | 0.0015539 | Pa×s | 353.69 | Calculated Property |
| η | 0.0010690 | Pa×s | 377.80 | Calculated Property |
| η | 0.0007691 | Pa×s | 401.91 | Calculated Property |
| η | 0.0005744 | Pa×s | 426.03 | Calculated Property |
| η | 0.0004426 | Pa×s | 450.14 | Calculated Property |
| η | 0.0003502 | Pa×s | 474.25 | Calculated Property |
| η | 0.0002834 | Pa×s | 498.36 | Calculated Property |
| η | 0.0002339 | Pa×s | 522.48 | Calculated Property |
Similar Compounds
Find more compounds similar to Trichloroacetic acid, 3-chloroprop-2-enyl ester.
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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