- InChI
- InChI=1S/C21H24O6/c1-24-18-8-3-6-16(12-18)14-26-20(22)10-5-11-21(23)27-15-17-7-4-9-19(13-17)25-2/h3-4,6-9,12-13H,5,10-11,14-15H2,1-2H3
- InChI Key
- ZZBIXGCBTFPAOI-UHFFFAOYSA-N
- Formula
- C21H24O6
- SMILES
-
COc1cccc(COC(=O)CCCC(=O)OCc2cc
cc(OC)c2)c1 - 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).
- 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 | -836.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.661 | Crippen Calculated Property | |
| McVol | 285.850 | ml/mol | McGowan Calculated Property |
| Inp | [3011.00; 3011.00] |
|
|
| Inp | 3011.00 | NIST | |
| Inp | 3011.00 | NIST | |
| Tboil | 688.53 | K | Relay (1.0) Calculated Property |
| Tfus | 332.62 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.04; 912.83] | 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 | 4.64050e+01 | |||
| Coefficient B | 1.48604e+00 | |||
| Coefficient C | -6.35720e-04 | |||
| Coefficient D | 1.61000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 405.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 493.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 573.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 645.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 709.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 766.01 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 814.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 854.95 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 887.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 912.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002623; 0.0000364] | Pa×s | [533.43; 786.37] |
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 | -1.43870e+01 | |||
| Coefficient B | 3.27574e+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. | 533.43 | |||
| Temperature range, max. | 786.37 | |||
| η | 0.0002623 | Pa×s | 533.43 | Calculated Property |
| η | 0.0001929 | Pa×s | 561.53 | Calculated Property |
| η | 0.0001461 | Pa×s | 589.64 | Calculated Property |
| η | 0.0001134 | Pa×s | 617.74 | Calculated Property |
| η | 0.0000901 | Pa×s | 645.85 | Calculated Property |
| η | 0.0000729 | Pa×s | 673.95 | Calculated Property |
| η | 0.0000600 | Pa×s | 702.06 | Calculated Property |
| η | 0.0000501 | Pa×s | 730.16 | Calculated Property |
| η | 0.0000425 | Pa×s | 758.27 | Calculated Property |
| η | 0.0000364 | Pa×s | 786.37 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(3-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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