- InChI
- InChI=1S/C7H12Cl2O2/c1-4-7(2,3)11-6(10)5(8)9/h5H,4H2,1-3H3
- InChI Key
- LNEQKJQITSWMMZ-UHFFFAOYSA-N
- Formula
- C7H12Cl2O2
- SMILES
- CCC(C)(C)OC(=O)C(Cl)Cl
- Molecular Weight1
- 199.07
- 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 | -570.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.88 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.522 | Crippen Calculated Property | |
| McVol | 141.410 | ml/mol | McGowan Calculated Property |
| Inp | [1068.00; 1068.00] |
|
|
| Inp | 1068.00 | NIST | |
| Inp | 1068.00 | NIST | |
| I | [1446.00; 1446.00] |
|
|
| I | 1446.00 | NIST | |
| I | 1446.00 | NIST | |
| Tboil | 455.06 | K | Relay (1.0) Calculated Property |
| Tfus | 231.30 | 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 | [290.81; 352.25] | J/mol×K | [489.17; 690.43] |
|
| Cp,gas | 290.81 | J/mol×K | 489.17 | Joback Calculated Property |
| Cp,gas | 302.74 | J/mol×K | 522.71 | Joback Calculated Property |
| Cp,gas | 313.96 | J/mol×K | 556.26 | Joback Calculated Property |
| Cp,gas | 324.50 | J/mol×K | 589.80 | Joback Calculated Property |
| Cp,gas | 334.38 | J/mol×K | 623.34 | Joback Calculated Property |
| Cp,gas | 343.62 | J/mol×K | 656.89 | Joback Calculated Property |
| Cp,gas | 352.25 | J/mol×K | 690.43 | Joback Calculated Property |
| η | [0.0002446; 0.0091323] | Pa×s | [258.24; 489.17] |
|
| η | 0.0091323 | Pa×s | 258.24 | Joback Calculated Property |
| η | 0.0033776 | Pa×s | 296.73 | Joback Calculated Property |
| η | 0.0015697 | Pa×s | 335.22 | Joback Calculated Property |
| η | 0.0008543 | Pa×s | 373.71 | Joback Calculated Property |
| η | 0.0005208 | Pa×s | 412.19 | Joback Calculated Property |
| η | 0.0003456 | Pa×s | 450.68 | Joback Calculated Property |
| η | 0.0002446 | Pa×s | 489.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, dichloro, 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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