- InChI
- InChI=1S/C21H24O6/c1-14-8-10-16(24-3)18(12-14)26-20(22)6-5-7-21(23)27-19-13-15(2)9-11-17(19)25-4/h8-13H,5-7H2,1-4H3
- InChI Key
- MKIDKWJVEGCGSX-UHFFFAOYSA-N
- Formula
- C21H24O6
- SMILES
-
COc1ccc(C)cc1OC(=O)CCCC(=O)Oc1
cc(C)ccc1OC - Molecular Weight1
- 372.42
- 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).
- Tc : Critical 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 | -887.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.61 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.002 | Crippen Calculated Property | |
| McVol | 285.850 | ml/mol | McGowan Calculated Property |
| Inp | [2901.00; 2901.00] |
|
|
| Inp | 2901.00 | NIST | |
| Inp | 2901.00 | NIST | |
| Tboil | 681.74 | K | Relay (1.0) Calculated Property |
| Tc | 931.50 | K | Relay (1.0) Calculated Property |
| Tfus | 386.24 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.14; 906.74] | 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 | 7.50030e+01 | |||
| Coefficient B | 1.36708e+00 | |||
| Coefficient C | -5.01640e-04 | |||
| Coefficient D | -3.37000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 410.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 494.37 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 571.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 641.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 704.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 760.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 808.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 848.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 881.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 906.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002000; 0.0000370] | Pa×s | [558.47; 794.49] |
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 | -1.41990e+01 | |||
| Coefficient B | 3.17322e+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. | 558.47 | |||
| Temperature range, max. | 794.49 | |||
| η | 0.0002000 | Pa×s | 558.47 | Calculated Property |
| η | 0.0001550 | Pa×s | 584.69 | Calculated Property |
| η | 0.0001228 | Pa×s | 610.92 | Calculated Property |
| η | 0.0000992 | Pa×s | 637.14 | Calculated Property |
| η | 0.0000815 | Pa×s | 663.37 | Calculated Property |
| η | 0.0000679 | Pa×s | 689.59 | Calculated Property |
| η | 0.0000574 | Pa×s | 715.81 | Calculated Property |
| η | 0.0000491 | Pa×s | 742.04 | Calculated Property |
| η | 0.0000424 | Pa×s | 768.26 | Calculated Property |
| η | 0.0000370 | Pa×s | 794.49 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(5-methyl-2-methoxybenzyl) 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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