- InChI
- InChI=1S/C28H38O4/c1-3-25(23-17-11-9-12-18-23)31-27(29)21-15-7-5-6-8-16-22-28(30)32-26(4-2)24-19-13-10-14-20-24/h9-14,17-20,25-26H,3-8,15-16,21-22H2,1-2H3
- InChI Key
- HHRKKUNYWVKTPG-UHFFFAOYSA-N
- Formula
- C28H38O4
- SMILES
-
CCC(OC(=O)CCCCCCCCC(=O)OC(CC)c
1ccccc1)c1ccccc1 - 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 | -783.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.05 | kJ/mol | Joback Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 7.496 | Crippen Calculated Property | |
| McVol | 372.740 | ml/mol | McGowan Calculated Property |
| Inp | [3182.00; 3182.00] |
|
|
| Inp | 3182.00 | NIST | |
| Inp | 3182.00 | NIST | |
| Tboil | 685.38 | K | Relay (1.0) Calculated Property |
| Tfus | 340.96 | 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 | [1247.95; 1313.85] | J/mol×K | [1009.16; 1236.49] |
|
| Cp,gas | 1247.95 | J/mol×K | 1009.16 | Joback Calculated Property |
| Cp,gas | 1262.74 | J/mol×K | 1047.05 | Joback Calculated Property |
| Cp,gas | 1275.89 | J/mol×K | 1084.94 | Joback Calculated Property |
| Cp,gas | 1287.50 | J/mol×K | 1122.83 | Joback Calculated Property |
| Cp,gas | 1297.63 | J/mol×K | 1160.72 | Joback Calculated Property |
| Cp,gas | 1306.39 | J/mol×K | 1198.61 | Joback Calculated Property |
| Cp,gas | 1313.85 | J/mol×K | 1236.49 | Joback Calculated Property |
| η | [0.0000105; 0.0004281] | Pa×s | [512.82; 1009.16] |
|
| η | 0.0004281 | Pa×s | 512.82 | Joback Calculated Property |
| η | 0.0001501 | Pa×s | 595.54 | Joback Calculated Property |
| η | 0.0000680 | Pa×s | 678.27 | Joback Calculated Property |
| η | 0.0000366 | Pa×s | 760.99 | Joback Calculated Property |
| η | 0.0000222 | Pa×s | 843.71 | Joback Calculated Property |
| η | 0.0000147 | Pa×s | 926.44 | Joback Calculated Property |
| η | 0.0000105 | Pa×s | 1009.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, di(1-phenylpropyl) 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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