- InChI
- InChI=1S/C22H32Cl2O4/c1-17(2)16-28-22(26)10-8-6-4-3-5-7-9-21(25)27-14-13-18-11-12-19(23)15-20(18)24/h11-12,15,17H,3-10,13-14,16H2,1-2H3
- InChI Key
- DYLLJKZMAHQZRV-UHFFFAOYSA-N
- Formula
- C22H32Cl2O4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OCCc1
ccc(Cl)cc1Cl - Molecular Weight1
- 431.39
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -952.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.87 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.399 | Crippen Calculated Property | |
| McVol | 336.440 | ml/mol | McGowan Calculated Property |
| Inp | [2857.00; 2857.00] |
|
|
| Inp | 2857.00 | NIST | |
| Inp | 2857.00 | NIST | |
| Tboil | 675.87 | K | Relay (1.0) Calculated Property |
| Tfus | 310.08 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [1036.41; 1101.55] | J/mol×K | [930.46; 1142.01] |
|
| Cp,gas | 1036.41 | J/mol×K | 930.46 | Joback Calculated Property |
| Cp,gas | 1050.57 | J/mol×K | 965.72 | Joback Calculated Property |
| Cp,gas | 1063.36 | J/mol×K | 1000.98 | Joback Calculated Property |
| Cp,gas | 1074.82 | J/mol×K | 1036.24 | Joback Calculated Property |
| Cp,gas | 1084.98 | J/mol×K | 1071.50 | Joback Calculated Property |
| Cp,gas | 1093.88 | J/mol×K | 1106.75 | Joback Calculated Property |
| Cp,gas | 1101.55 | J/mol×K | 1142.01 | Joback Calculated Property |
| η | [0.0000210; 0.0004059] | Pa×s | [518.66; 930.46] |
|
| η | 0.0004059 | Pa×s | 518.66 | Joback Calculated Property |
| η | 0.0001856 | Pa×s | 587.29 | Joback Calculated Property |
| η | 0.0001000 | Pa×s | 655.93 | Joback Calculated Property |
| η | 0.0000605 | Pa×s | 724.56 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 793.19 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 861.83 | Joback Calculated Property |
| η | 0.0000210 | Pa×s | 930.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2,4-dichlorophenethyl 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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