- InChI
- InChI=1S/C6H7Cl3O2/c7-6(8,9)3-11-5(10)4-1-2-4/h4H,1-3H2
- InChI Key
- KZZRCPHACUAIRF-UHFFFAOYSA-N
- Formula
- C6H7Cl3O2
- SMILES
- O=C(OCC(Cl)(Cl)Cl)C1CC1
- Molecular Weight1
- 217.48
- 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 | -428.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.14 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.310 | Crippen Calculated Property | |
| McVol | 128.700 | ml/mol | McGowan Calculated Property |
| Inp | [1250.00; 1250.00] |
|
|
| Inp | 1250.00 | NIST | |
| Inp | 1250.00 | NIST | |
| Tboil | 494.57 | 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 | [164.41; 343.00] | 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 | -1.31990e+01 | |||
| Coefficient B | 8.16100e-01 | |||
| Coefficient C | -6.61200e-04 | |||
| Coefficient D | 2.01300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 164.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 201.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 233.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 259.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 280.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 298.69 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 313.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 324.89 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 334.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 343.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0036562; 0.0005361] | Pa×s | [309.83; 512.58] |
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 | -1.04649e+01 | |||
| Coefficient B | 1.50378e+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. | 309.83 | |||
| Temperature range, max. | 512.58 | |||
| η | 0.0036562 | Pa×s | 309.83 | Calculated Property |
| η | 0.0026312 | Pa×s | 332.36 | Calculated Property |
| η | 0.0019743 | Pa×s | 354.88 | Calculated Property |
| η | 0.0015331 | Pa×s | 377.41 | Calculated Property |
| η | 0.0012249 | Pa×s | 399.94 | Calculated Property |
| η | 0.0010024 | Pa×s | 422.47 | Calculated Property |
| η | 0.0008371 | Pa×s | 444.99 | Calculated Property |
| η | 0.0007113 | Pa×s | 467.52 | Calculated Property |
| η | 0.0006135 | Pa×s | 490.05 | Calculated Property |
| η | 0.0005361 | Pa×s | 512.58 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic acid, 2,2,2-trichloroethyl 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
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