- InChI
- InChI=1S/C6H9Cl3O3/c1-4(2)12-5(10)11-3-6(7,8)9/h4H,3H2,1-2H3
- InChI Key
- BXVZTZVGXVIVBP-UHFFFAOYSA-N
- Formula
- C6H9Cl3O3
- SMILES
- CC(C)OC(=O)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 235.49
- 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 | -696.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.96 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.918 | Crippen Calculated Property | |
| McVol | 145.430 | ml/mol | McGowan Calculated Property |
| Inp | 1206.00 | NIST | |
| Tboil | 468.94 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [295.29; 346.00] | J/mol×K | [526.14; 733.79] | 
|
| Cp,gas | 295.29 | J/mol×K | 526.14 | Joback Calculated Property |
| Cp,gas | 305.23 | J/mol×K | 560.75 | Joback Calculated Property |
| Cp,gas | 314.55 | J/mol×K | 595.36 | Joback Calculated Property |
| Cp,gas | 323.29 | J/mol×K | 629.97 | Joback Calculated Property |
| Cp,gas | 331.43 | J/mol×K | 664.58 | Joback Calculated Property |
| Cp,gas | 339.00 | J/mol×K | 699.18 | Joback Calculated Property |
| Cp,gas | 346.00 | J/mol×K | 733.79 | Joback Calculated Property |
| η | [0.0001965; 0.0045581] | Pa×s | [299.12; 526.14] |
|
| η | 0.0045581 | Pa×s | 299.12 | Joback Calculated Property |
| η | 0.0020112 | Pa×s | 336.96 | Joback Calculated Property |
| η | 0.0010468 | Pa×s | 374.79 | Joback Calculated Property |
| η | 0.0006142 | Pa×s | 412.63 | Joback Calculated Property |
| η | 0.0003941 | Pa×s | 450.47 | Joback Calculated Property |
| η | 0.0002709 | Pa×s | 488.30 | Joback Calculated Property |
| η | 0.0001965 | Pa×s | 526.14 | Joback Calculated Property |
Similar Compounds
![Propane, 2,2'-[methylenebis(oxy)]bis-.](data:image/png;base64,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)
Find more compounds similar to Carbonic acid, 2,2,2-trichloroethyl isopropyl 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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