- InChI
- InChI=1S/C12H20Cl2O4/c1-8(2)9(3)18-12(16)6-4-5-11(15)17-7-10(13)14/h8-10H,4-7H2,1-3H3
- InChI Key
- PELKZLOXQRMYOE-UHFFFAOYSA-N
- Formula
- C12H20Cl2O4
- SMILES
-
CC(C)C(C)OC(=O)CCCC(=O)OCC(Cl)
Cl - Molecular Weight1
- 299.19
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical 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 | -974.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.16 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.091 | Crippen Calculated Property | |
| McVol | 219.300 | ml/mol | McGowan Calculated Property |
| Inp | [1766.00; 1766.00] |
|
|
| Inp | 1766.00 | NIST | |
| Inp | 1766.00 | NIST | |
| Tboil | 565.49 | K | Relay (1.0) Calculated Property |
| Tc | 749.37 | K | Relay (1.0) Calculated Property |
| Tfus | 282.78 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [318.59; 672.79] | 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 | 6.35340e+01 | |||
| Coefficient B | 1.06556e+00 | |||
| Coefficient C | -4.90200e-04 | |||
| Coefficient D | 3.39000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 318.59 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 380.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 436.79 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 487.11 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 531.72 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 570.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 604.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 632.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 655.15 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 672.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0054798; 0.0001262] | Pa×s | [324.50; 597.92] |
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 | -1.34529e+01 | |||
| Coefficient B | 2.67590e+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. | 324.50 | |||
| Temperature range, max. | 597.92 | |||
| η | 0.0054798 | Pa×s | 324.50 | Calculated Property |
| η | 0.0027051 | Pa×s | 354.88 | Calculated Property |
| η | 0.0014926 | Pa×s | 385.26 | Calculated Property |
| η | 0.0008984 | Pa×s | 415.64 | Calculated Property |
| η | 0.0005795 | Pa×s | 446.02 | Calculated Property |
| η | 0.0003952 | Pa×s | 476.40 | Calculated Property |
| η | 0.0002822 | Pa×s | 506.78 | Calculated Property |
| η | 0.0002094 | Pa×s | 537.16 | Calculated Property |
| η | 0.0001604 | Pa×s | 567.54 | Calculated Property |
| η | 0.0001262 | Pa×s | 597.92 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 2,2-dichloroethyl 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
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