- InChI
- InChI=1S/C28H38O4/c1-21(2)23-13-17-25(18-14-23)31-27(29)11-9-7-5-6-8-10-12-28(30)32-26-19-15-24(16-20-26)22(3)4/h13-22H,5-12H2,1-4H3
- InChI Key
- SASLXLYRMVYKII-UHFFFAOYSA-N
- Formula
- C28H38O4
- SMILES
-
CC(C)c1ccc(OC(=O)CCCCCCCCC(=O)
Oc2ccc(C(C)C)cc2)cc1 - Molecular Weight1
- 438.60
- 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).
- IE : Ionization energy (eV).
- 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 | -794.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.27 | kJ/mol | Joback Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 7.565 | Crippen Calculated Property | |
| McVol | 372.740 | ml/mol | McGowan Calculated Property |
| Inp | 3517.00 | NIST | |
| Tboil | 695.51 | K | Relay (1.0) Calculated Property |
| Tfus | 361.00 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 | [1245.91; 1308.11] | J/mol×K | [1019.12; 1248.50] | 
|
| Cp,gas | 1245.91 | J/mol×K | 1019.12 | Joback Calculated Property |
| Cp,gas | 1260.32 | J/mol×K | 1057.35 | Joback Calculated Property |
| Cp,gas | 1273.02 | J/mol×K | 1095.58 | Joback Calculated Property |
| Cp,gas | 1284.08 | J/mol×K | 1133.81 | Joback Calculated Property |
| Cp,gas | 1293.57 | J/mol×K | 1172.04 | Joback Calculated Property |
| Cp,gas | 1301.56 | J/mol×K | 1210.27 | Joback Calculated Property |
| Cp,gas | 1308.11 | J/mol×K | 1248.50 | Joback Calculated Property |
| η | [0.0000110; 0.0003005] | Pa×s | [537.86; 1019.12] |
|
| η | 0.0003005 | Pa×s | 537.86 | Joback Calculated Property |
| η | 0.0001211 | Pa×s | 618.07 | Joback Calculated Property |
| η | 0.0000601 | Pa×s | 698.28 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 778.49 | Joback Calculated Property |
| η | 0.0000220 | Pa×s | 858.70 | Joback Calculated Property |
| η | 0.0000151 | Pa×s | 938.91 | Joback Calculated Property |
| η | 0.0000110 | Pa×s | 1019.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, di(4-isopropylphenyl) 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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