- InChI
- InChI=1S/C21H30Cl2O4/c1-16(2)14-26-19(24)12-7-5-3-4-6-8-13-20(25)27-15-17-10-9-11-18(22)21(17)23/h9-11,16H,3-8,12-15H2,1-2H3
- InChI Key
- JLGVSZYEVPYRIK-UHFFFAOYSA-N
- Formula
- C21H30Cl2O4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OCc1c
ccc(Cl)c1Cl - Molecular Weight1
- 417.37
- 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 | -922.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.04 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.357 | Crippen Calculated Property | |
| McVol | 322.350 | ml/mol | McGowan Calculated Property |
| Inp | [2921.00; 2921.00] |
|
|
| Inp | 2921.00 | NIST | |
| Inp | 2921.00 | NIST | |
| Tboil | 665.37 | 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 | [977.08; 1042.27] | J/mol×K | [907.58; 1116.77] |
|
| Cp,gas | 977.08 | J/mol×K | 907.58 | Joback Calculated Property |
| Cp,gas | 991.11 | J/mol×K | 942.44 | Joback Calculated Property |
| Cp,gas | 1003.84 | J/mol×K | 977.31 | Joback Calculated Property |
| Cp,gas | 1015.28 | J/mol×K | 1012.17 | Joback Calculated Property |
| Cp,gas | 1025.49 | J/mol×K | 1047.04 | Joback Calculated Property |
| Cp,gas | 1034.47 | J/mol×K | 1081.90 | Joback Calculated Property |
| Cp,gas | 1042.27 | J/mol×K | 1116.77 | Joback Calculated Property |
| η | [0.0000245; 0.0004619] | Pa×s | [507.39; 907.58] |
|
| η | 0.0004619 | Pa×s | 507.39 | Joback Calculated Property |
| η | 0.0002131 | Pa×s | 574.09 | Joback Calculated Property |
| η | 0.0001155 | Pa×s | 640.79 | Joback Calculated Property |
| η | 0.0000702 | Pa×s | 707.48 | Joback Calculated Property |
| η | 0.0000466 | Pa×s | 774.18 | Joback Calculated Property |
| η | 0.0000329 | Pa×s | 840.88 | Joback Calculated Property |
| η | 0.0000245 | Pa×s | 907.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2,3-dichlorobenzyl isobutyl 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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