- 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).
- 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 | -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 |
| 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [882.41; 936.35] | J/mol×K | [904.68; 1123.39] | 
|
| Cp,gas | 882.41 | J/mol×K | 904.68 | Joback Calculated Property |
| Cp,gas | 895.31 | J/mol×K | 941.13 | Joback Calculated Property |
| Cp,gas | 906.64 | J/mol×K | 977.58 | Joback Calculated Property |
| Cp,gas | 916.40 | J/mol×K | 1014.03 | Joback Calculated Property |
| Cp,gas | 924.60 | J/mol×K | 1050.48 | Joback Calculated Property |
| Cp,gas | 931.25 | J/mol×K | 1086.94 | Joback Calculated Property |
| Cp,gas | 936.35 | J/mol×K | 1123.39 | Joback Calculated Property |
| η | [0.0000211; 0.0002623] | Pa×s | [533.43; 904.68] |
|
| η | 0.0002623 | Pa×s | 533.43 | Joback Calculated Property |
| η | 0.0001385 | Pa×s | 595.31 | Joback Calculated Property |
| η | 0.0000825 | Pa×s | 657.18 | Joback Calculated Property |
| η | 0.0000537 | Pa×s | 719.05 | Joback Calculated Property |
| η | 0.0000375 | Pa×s | 780.93 | Joback Calculated Property |
| η | 0.0000275 | Pa×s | 842.80 | Joback Calculated Property |
| η | 0.0000211 | Pa×s | 904.68 | Joback 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
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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