- InChI
- InChI=1S/C7H11Cl3O2/c1-4-6(2,3)12-5(11)7(8,9)10/h4H2,1-3H3
- InChI Key
- IOFGLFCKRVLSBV-UHFFFAOYSA-N
- Formula
- C7H11Cl3O2
- SMILES
- CCC(C)(C)OC(=O)C(Cl)(Cl)Cl
- Molecular Weight1
- 233.52
- 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.
- I : 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 | -551.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.40 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.088 | Crippen Calculated Property | |
| McVol | 153.650 | ml/mol | McGowan Calculated Property |
| Inp | [1147.00; 1147.00] |
|
|
| Inp | 1147.00 | NIST | |
| Inp | 1147.00 | NIST | |
| I | [1417.00; 1417.00] |
|
|
| I | 1417.00 | NIST | |
| I | 1417.00 | NIST | |
| Tboil | 465.01 | K | Relay (1.0) Calculated Property |
| Tfus | 245.08 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [319.43; 377.03] | J/mol×K | [523.81; 738.77] |
|
| Cp,gas | 319.43 | J/mol×K | 523.81 | Joback Calculated Property |
| Cp,gas | 331.14 | J/mol×K | 559.64 | Joback Calculated Property |
| Cp,gas | 341.93 | J/mol×K | 595.46 | Joback Calculated Property |
| Cp,gas | 351.87 | J/mol×K | 631.29 | Joback Calculated Property |
| Cp,gas | 361.00 | J/mol×K | 667.12 | Joback Calculated Property |
| Cp,gas | 369.37 | J/mol×K | 702.95 | Joback Calculated Property |
| Cp,gas | 377.03 | J/mol×K | 738.77 | Joback Calculated Property |
| η | [0.0002239; 0.0055481] | Pa×s | [305.58; 523.81] |
|
| η | 0.0055481 | Pa×s | 305.58 | Joback Calculated Property |
| η | 0.0024448 | Pa×s | 341.95 | Joback Calculated Property |
| η | 0.0012612 | Pa×s | 378.32 | Joback Calculated Property |
| η | 0.0007307 | Pa×s | 414.69 | Joback Calculated Property |
| η | 0.0004623 | Pa×s | 451.07 | Joback Calculated Property |
| η | 0.0003132 | Pa×s | 487.44 | Joback Calculated Property |
| η | 0.0002239 | Pa×s | 523.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, trichloro, 1,1-dimethylpropyl 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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