- InChI
- InChI=1S/C22H30Cl4O4/c1-15(2)10-9-13-29-18(27)11-7-5-3-4-6-8-12-19(28)30-22-20(25)16(23)14-17(24)21(22)26/h14-15H,3-13H2,1-2H3
- InChI Key
- WKYLBSZRXPELIO-UHFFFAOYSA-N
- Formula
- C22H30Cl4O4
- SMILES
-
CC(C)CCCOC(=O)CCCCCCCCC(=O)Oc1
c(Cl)c(Cl)cc(Cl)c1Cl - Molecular Weight1
- 500.28
- 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 | -971.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.08 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 8.306 | Crippen Calculated Property | |
| McVol | 360.920 | ml/mol | McGowan Calculated Property |
| Inp | [3319.00; 3319.00] |
|
|
| Inp | 3319.00 | NIST | |
| Inp | 3319.00 | NIST | |
| Tboil | 675.59 | 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 | [1078.41; 1123.45] | J/mol×K | [1015.28; 1243.21] |
|
| Cp,gas | 1078.41 | J/mol×K | 1015.28 | Joback Calculated Property |
| Cp,gas | 1089.58 | J/mol×K | 1053.27 | Joback Calculated Property |
| Cp,gas | 1099.24 | J/mol×K | 1091.26 | Joback Calculated Property |
| Cp,gas | 1107.42 | J/mol×K | 1129.25 | Joback Calculated Property |
| Cp,gas | 1114.17 | J/mol×K | 1167.23 | Joback Calculated Property |
| Cp,gas | 1119.50 | J/mol×K | 1205.22 | Joback Calculated Property |
| Cp,gas | 1123.45 | J/mol×K | 1243.21 | Joback Calculated Property |
| η | [0.0000151; 0.0001832] | Pa×s | [603.54; 1015.28] |
|
| η | 0.0001832 | Pa×s | 603.54 | Joback Calculated Property |
| η | 0.0000978 | Pa×s | 672.16 | Joback Calculated Property |
| η | 0.0000586 | Pa×s | 740.79 | Joback Calculated Property |
| η | 0.0000383 | Pa×s | 809.41 | Joback Calculated Property |
| η | 0.0000268 | Pa×s | 878.03 | Joback Calculated Property |
| η | 0.0000197 | Pa×s | 946.66 | Joback Calculated Property |
| η | 0.0000151 | Pa×s | 1015.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, isohexyl 2,3,5,6-tetrachlorophenyl 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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