- InChI
- InChI=1S/C7H12Cl2O2/c1-4(2)5(3)11-7(10)6(8)9/h4-6H,1-3H3
- InChI Key
- VVJYTELLIBXTPJ-UHFFFAOYSA-N
- Formula
- C7H12Cl2O2
- SMILES
- CC(C)C(C)OC(=O)C(Cl)Cl
- Molecular Weight1
- 199.08
- 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 | -550.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.97 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.378 | Crippen Calculated Property | |
| McVol | 141.410 | ml/mol | McGowan Calculated Property |
| Inp | [1084.00; 1084.00] |
|
|
| Inp | 1084.00 | NIST | |
| Inp | 1084.00 | NIST | |
| I | [1476.00; 1476.00] |
|
|
| I | 1476.00 | NIST | |
| I | 1476.00 | NIST | |
| Tboil | 454.02 | K | Relay (1.0) Calculated Property |
| Tfus | 250.94 | 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 | [288.05; 349.18] | J/mol×K | [491.52; 689.19] |
|
| Cp,gas | 288.05 | J/mol×K | 491.52 | Joback Calculated Property |
| Cp,gas | 299.64 | J/mol×K | 524.46 | Joback Calculated Property |
| Cp,gas | 310.67 | J/mol×K | 557.41 | Joback Calculated Property |
| Cp,gas | 321.13 | J/mol×K | 590.35 | Joback Calculated Property |
| Cp,gas | 331.03 | J/mol×K | 623.30 | Joback Calculated Property |
| Cp,gas | 340.38 | J/mol×K | 656.24 | Joback Calculated Property |
| Cp,gas | 349.18 | J/mol×K | 689.19 | Joback Calculated Property |
| η | [0.0002238; 0.0172619] | Pa×s | [225.82; 491.52] |
|
| η | 0.0172619 | Pa×s | 225.82 | Joback Calculated Property |
| η | 0.0046205 | Pa×s | 270.10 | Joback Calculated Property |
| η | 0.0017928 | Pa×s | 314.39 | Joback Calculated Property |
| η | 0.0008789 | Pa×s | 358.67 | Joback Calculated Property |
| η | 0.0005039 | Pa×s | 402.95 | Joback Calculated Property |
| η | 0.0003226 | Pa×s | 447.24 | Joback Calculated Property |
| η | 0.0002238 | Pa×s | 491.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, dichloro, 1,2-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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