- InChI
- InChI=1S/C16H20Cl2O4/c1-3-6-11(2)21-14(19)9-5-10-15(20)22-13-8-4-7-12(17)16(13)18/h4,7-8,11H,3,5-6,9-10H2,1-2H3
- InChI Key
- BYLGTUWKQKJHAI-UHFFFAOYSA-N
- Formula
- C16H20Cl2O4
- SMILES
-
CCCC(C)OC(=O)CCCC(=O)Oc1cccc(C
l)c1Cl - Molecular Weight1
- 347.23
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -821.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.85 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.801 | Crippen Calculated Property | |
| McVol | 251.900 | ml/mol | McGowan Calculated Property |
| Inp | [2488.00; 2488.00] |
|
|
| Inp | 2488.00 | NIST | |
| Inp | 2488.00 | NIST | |
| Tboil | 617.33 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [690.69; 753.89] | J/mol×K | [793.18; 1001.97] |
|
| Cp,gas | 690.69 | J/mol×K | 793.18 | Joback Calculated Property |
| Cp,gas | 703.92 | J/mol×K | 827.98 | Joback Calculated Property |
| Cp,gas | 716.06 | J/mol×K | 862.78 | Joback Calculated Property |
| Cp,gas | 727.11 | J/mol×K | 897.57 | Joback Calculated Property |
| Cp,gas | 737.09 | J/mol×K | 932.37 | Joback Calculated Property |
| Cp,gas | 746.01 | J/mol×K | 967.17 | Joback Calculated Property |
| Cp,gas | 753.89 | J/mol×K | 1001.97 | Joback Calculated Property |
| η | [0.0000521; 0.0008408] | Pa×s | [451.04; 793.18] |
|
| η | 0.0008408 | Pa×s | 451.04 | Joback Calculated Property |
| η | 0.0004078 | Pa×s | 508.06 | Joback Calculated Property |
| η | 0.0002289 | Pa×s | 565.09 | Joback Calculated Property |
| η | 0.0001428 | Pa×s | 622.11 | Joback Calculated Property |
| η | 0.0000965 | Pa×s | 679.13 | Joback Calculated Property |
| η | 0.0000692 | Pa×s | 736.16 | Joback Calculated Property |
| η | 0.0000521 | Pa×s | 793.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,3-dichlorophenyl 2-pentyl 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
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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