- InChI
- InChI=1S/C21H24O4/c1-14-8-5-10-18(16(14)3)24-20(22)12-7-13-21(23)25-19-11-6-9-15(2)17(19)4/h5-6,8-11H,7,12-13H2,1-4H3
- InChI Key
- GDXGEHBHDPJIDH-UHFFFAOYSA-N
- Formula
- C21H24O4
- SMILES
-
Cc1cccc(OC(=O)CCCC(=O)Oc2cccc(
C)c2C)c1C - 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).
- 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 | -660.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.41 | kJ/mol | Joback Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.602 | Crippen Calculated Property | |
| McVol | 274.110 | ml/mol | McGowan Calculated Property |
| Inp | [2819.00; 2819.00] |
|
|
| Inp | 2819.00 | NIST | |
| Inp | 2819.00 | NIST | |
| Tboil | 660.24 | K | Relay (1.0) Calculated Property |
| Tfus | 377.07 | 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 | [825.51; 890.50] | J/mol×K | [869.80; 1090.38] |
|
| Cp,gas | 825.51 | J/mol×K | 869.80 | Joback Calculated Property |
| Cp,gas | 839.76 | J/mol×K | 906.56 | Joback Calculated Property |
| Cp,gas | 852.61 | J/mol×K | 943.33 | Joback Calculated Property |
| Cp,gas | 864.09 | J/mol×K | 980.09 | Joback Calculated Property |
| Cp,gas | 874.22 | J/mol×K | 1016.85 | Joback Calculated Property |
| Cp,gas | 883.01 | J/mol×K | 1053.61 | Joback Calculated Property |
| Cp,gas | 890.50 | J/mol×K | 1090.38 | Joback Calculated Property |
| η | [0.0000391; 0.0004023] | Pa×s | [514.01; 869.80] |
|
| η | 0.0004023 | Pa×s | 514.01 | Joback Calculated Property |
| η | 0.0002231 | Pa×s | 573.31 | Joback Calculated Property |
| η | 0.0001382 | Pa×s | 632.61 | Joback Calculated Property |
| η | 0.0000929 | Pa×s | 691.90 | Joback Calculated Property |
| η | 0.0000665 | Pa×s | 751.20 | Joback Calculated Property |
| η | 0.0000500 | Pa×s | 810.50 | Joback Calculated Property |
| η | 0.0000391 | Pa×s | 869.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2,3-dimethylphenyl) 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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