- 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.
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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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.34; 869.74] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.40030e+01 | |||
| Coefficient B | 1.49348e+00 | |||
| Coefficient C | -7.23640e-04 | |||
| Coefficient D | 7.59000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 379.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 465.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 542.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 611.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 673.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 726.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 773.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 812.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 844.34 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 869.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004023; 0.0000626] | Pa×s | [514.01; 763.26] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.35168e+01 | |||
| Coefficient B | 2.92904e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 514.01 | |||
| Temperature range, max. | 763.26 | |||
| η | 0.0004023 | Pa×s | 514.01 | Calculated Property |
| η | 0.0003006 | Pa×s | 541.70 | Calculated Property |
| η | 0.0002311 | Pa×s | 569.40 | Calculated Property |
| η | 0.0001820 | Pa×s | 597.09 | Calculated Property |
| η | 0.0001465 | Pa×s | 624.79 | Calculated Property |
| η | 0.0001200 | Pa×s | 652.48 | Calculated Property |
| η | 0.0001000 | Pa×s | 680.18 | Calculated Property |
| η | 0.0000845 | Pa×s | 707.87 | Calculated Property |
| η | 0.0000723 | Pa×s | 735.57 | Calculated Property |
| η | 0.0000626 | Pa×s | 763.26 | 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
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