- InChI
- InChI=1S/C13H22Cl2O4/c1-9(2)7-10(3)19-13(17)6-4-5-12(16)18-8-11(14)15/h9-11H,4-8H2,1-3H3
- InChI Key
- VGYIYHUSCJTFJW-UHFFFAOYSA-N
- Formula
- C13H22Cl2O4
- SMILES
-
CC(C)CC(C)OC(=O)CCCC(=O)OCC(Cl
)Cl - Molecular Weight1
- 313.22
- 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).
- Pc : Critical Pressure (kPa).
- 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 | -1003.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.48 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 3.481 | Crippen Calculated Property | |
| McVol | 233.390 | ml/mol | McGowan Calculated Property |
| Pc | 1592.35 | kPa | Joback Calculated Property |
| Inp | [1842.00; 1842.00] |
|
|
| Inp | 1842.00 | NIST | |
| Inp | 1842.00 | NIST | |
| Tboil | 572.16 | K | Relay (1.0) Calculated Property |
| Tc | 754.28 | K | Relay (1.0) Calculated Property |
| Tfus | 276.61 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [339.80; 724.39] | 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 | 6.26250e+01 | |||
| Coefficient B | 1.16056e+00 | |||
| Coefficient C | -5.44600e-04 | |||
| Coefficient D | 4.58000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 339.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 407.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 467.87 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 522.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 570.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 612.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 649.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 679.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 704.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 724.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0047187; 0.0001132] | Pa×s | [335.77; 612.90] |
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 | -1.36061e+01 | |||
| Coefficient B | 2.77006e+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. | 335.77 | |||
| Temperature range, max. | 612.90 | |||
| η | 0.0047187 | Pa×s | 335.77 | Calculated Property |
| η | 0.0023597 | Pa×s | 366.56 | Calculated Property |
| η | 0.0013138 | Pa×s | 397.35 | Calculated Property |
| η | 0.0007958 | Pa×s | 428.15 | Calculated Property |
| η | 0.0005155 | Pa×s | 458.94 | Calculated Property |
| η | 0.0003527 | Pa×s | 489.73 | Calculated Property |
| η | 0.0002524 | Pa×s | 520.52 | Calculated Property |
| η | 0.0001875 | Pa×s | 551.31 | Calculated Property |
| η | 0.0001438 | Pa×s | 582.10 | Calculated Property |
| η | 0.0001132 | Pa×s | 612.90 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 4-methylpent-2-yl ester.
Sources
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