- InChI
- InChI=1S/C6H10Cl2O2/c1-3-4-6(7,8)5(9)10-2/h3-4H2,1-2H3
- InChI Key
- IZTMVFSJBDVCCA-UHFFFAOYSA-N
- Formula
- C6H10Cl2O2
- SMILES
- CCCC(Cl)(Cl)C(=O)OC
- Molecular Weight1
- 185.05
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-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 | -483.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.33 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.133 | Crippen Calculated Property | |
| McVol | 127.320 | ml/mol | McGowan Calculated Property |
| Inp | [1328.00; 1328.00] |
|
|
| Inp | 1328.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Tboil | 444.20 | K | Relay (1.0) Calculated Property |
| Tfus | 225.70 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [249.30; 303.60] | J/mol×K | [466.73; 666.06] |
|
| Cp,gas | 249.30 | J/mol×K | 466.73 | Joback Calculated Property |
| Cp,gas | 259.83 | J/mol×K | 499.95 | Joback Calculated Property |
| Cp,gas | 269.75 | J/mol×K | 533.17 | Joback Calculated Property |
| Cp,gas | 279.06 | J/mol×K | 566.40 | Joback Calculated Property |
| Cp,gas | 287.79 | J/mol×K | 599.62 | Joback Calculated Property |
| Cp,gas | 295.96 | J/mol×K | 632.84 | Joback Calculated Property |
| Cp,gas | 303.60 | J/mol×K | 666.06 | Joback Calculated Property |
| η | [0.0002904; 0.0064158] | Pa×s | [261.97; 466.73] |
|
| η | 0.0064158 | Pa×s | 261.97 | Joback Calculated Property |
| η | 0.0028451 | Pa×s | 296.10 | Joback Calculated Property |
| η | 0.0014926 | Pa×s | 330.22 | Joback Calculated Property |
| η | 0.0008836 | Pa×s | 364.35 | Joback Calculated Property |
| η | 0.0005722 | Pa×s | 398.48 | Joback Calculated Property |
| η | 0.0003969 | Pa×s | 432.60 | Joback Calculated Property |
| η | 0.0002904 | Pa×s | 466.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2,2-dichloropentanoate.
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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