- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.45; 354.99] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.41520e+01 | |||
| Coefficient B | 6.58440e-01 | |||
| Coefficient C | -4.20600e-04 | |||
| Coefficient D | 9.30000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 174.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 208.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 238.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 264.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 286.90 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 305.98 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 322.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 335.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 346.24 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 354.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0064158; 0.0002916] | Pa×s | [261.97; 466.24] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.21044e+01 | |||
| Coefficient B | 1.84830e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 261.97 | |||
| Temperature range, max. | 466.24 | |||
| η | 0.0064158 | Pa×s | 261.97 | Calculated Property |
| η | 0.0036555 | Pa×s | 284.67 | Calculated Property |
| η | 0.0022632 | Pa×s | 307.36 | Calculated Property |
| η | 0.0014967 | Pa×s | 330.06 | Calculated Property |
| η | 0.0010439 | Pa×s | 352.76 | Calculated Property |
| η | 0.0007605 | Pa×s | 375.46 | Calculated Property |
| η | 0.0005744 | Pa×s | 398.15 | Calculated Property |
| η | 0.0004472 | Pa×s | 420.85 | Calculated Property |
| η | 0.0003572 | Pa×s | 443.55 | Calculated Property |
| η | 0.0002916 | Pa×s | 466.24 | 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
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