- InChI
- InChI=1S/C21H24O4/c1-16(18-10-5-3-6-11-18)24-20(22)14-9-15-21(23)25-17(2)19-12-7-4-8-13-19/h3-8,10-13,16-17H,9,14-15H2,1-2H3
- InChI Key
- BINGVWUXLVUIJH-UHFFFAOYSA-N
- Formula
- C21H24O4
- SMILES
-
CC(OC(=O)CCCC(=O)OC(C)c1ccccc1
)c1ccccc1 - Molecular Weight1
- 340.41
- 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).
- 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 | -637.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.765 | Crippen Calculated Property | |
| McVol | 274.110 | ml/mol | McGowan Calculated Property |
| Inp | 2712.00 | NIST | |
| Tboil | 620.92 | K | Relay (1.0) Calculated Property |
| Tfus | 326.71 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 | [830.74; 900.09] | J/mol×K | [849.00; 1072.18] | 
|
| Cp,gas | 830.74 | J/mol×K | 849.00 | Joback Calculated Property |
| Cp,gas | 845.81 | J/mol×K | 886.20 | Joback Calculated Property |
| Cp,gas | 859.41 | J/mol×K | 923.39 | Joback Calculated Property |
| Cp,gas | 871.58 | J/mol×K | 960.59 | Joback Calculated Property |
| Cp,gas | 882.38 | J/mol×K | 997.79 | Joback Calculated Property |
| Cp,gas | 891.87 | J/mol×K | 1034.99 | Joback Calculated Property |
| Cp,gas | 900.09 | J/mol×K | 1072.18 | Joback Calculated Property |
| η | [0.0000310; 0.0011546] | Pa×s | [433.93; 849.00] |
|
| η | 0.0011546 | Pa×s | 433.93 | Joback Calculated Property |
| η | 0.0004176 | Pa×s | 503.11 | Joback Calculated Property |
| η | 0.0001931 | Pa×s | 572.29 | Joback Calculated Property |
| η | 0.0001055 | Pa×s | 641.46 | Joback Calculated Property |
| η | 0.0000648 | Pa×s | 710.64 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 779.82 | Joback Calculated Property |
| η | 0.0000310 | Pa×s | 849.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(1-phenylethyl) 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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