- InChI
- InChI=1S/C20H28Cl2O5/c1-25-18-15-16(22)11-12-17(18)27-20(24)10-8-9-19(23)26-14-7-5-3-2-4-6-13-21/h11-12,15H,2-10,13-14H2,1H3
- InChI Key
- ZWKWDSSOOMCJLM-UHFFFAOYSA-N
- Formula
- C20H28Cl2O5
- SMILES
-
COc1cc(Cl)ccc1OC(=O)CCCC(=O)OC
CCCCCCCCl - Molecular Weight1
- 419.34
- 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.
- 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 | -997.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.66 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 5.547 | Crippen Calculated Property | |
| McVol | 314.130 | ml/mol | McGowan Calculated Property |
| Inp | [3083.00; 3083.00] |
|
|
| Inp | 3083.00 | NIST | |
| Inp | 3083.00 | NIST | |
| Tfus | 324.31 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal Boiling Point Temperature, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.49; 977.80] | 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 | 8.15010e+01 | |||
| Coefficient B | 1.54672e+00 | |||
| Coefficient C | -7.01920e-04 | |||
| Coefficient D | 5.15000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 452.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 543.13 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 625.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 699.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 765.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 822.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 872.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 915.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 950.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 977.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003124; 0.0000421] | Pa×s | [533.35; 781.10] |
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 | -1.43873e+01 | |||
| Coefficient B | 3.36871e+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. | 533.35 | |||
| Temperature range, max. | 781.10 | |||
| η | 0.0003124 | Pa×s | 533.35 | Calculated Property |
| η | 0.0002291 | Pa×s | 560.88 | Calculated Property |
| η | 0.0001730 | Pa×s | 588.41 | Calculated Property |
| η | 0.0001340 | Pa×s | 615.93 | Calculated Property |
| η | 0.0001060 | Pa×s | 643.46 | Calculated Property |
| η | 0.0000855 | Pa×s | 670.99 | Calculated Property |
| η | 0.0000702 | Pa×s | 698.52 | Calculated Property |
| η | 0.0000584 | Pa×s | 726.05 | Calculated Property |
| η | 0.0000493 | Pa×s | 753.58 | Calculated Property |
| η | 0.0000421 | Pa×s | 781.10 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 8-chlorooctyl 4-chloro-2-methoxyphenyl 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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