- InChI
- InChI=1S/C21H20O2/c1-17-12-13-20(22-15-18-8-4-2-5-9-18)21(14-17)23-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3
- InChI Key
- JQAYGWDEFAVMCJ-UHFFFAOYSA-N
- Formula
- C21H20O2
- SMILES
-
Cc1ccc(OCc2ccccc2)c(OCc2ccccc2
)c1 - Molecular Weight1
- 304.39
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 |
|---|---|---|---|
| ΔfusH° | 33.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.91 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.153 | Crippen Calculated Property | |
| McVol | 247.210 | ml/mol | McGowan Calculated Property |
| Tboil | 665.58 | K | Relay (1.0) Calculated Property |
| Tfus | 339.70 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 | [713.46; 793.00] | J/mol×K | [814.92; 1059.87] | 
|
| Cp,gas | 713.46 | J/mol×K | 814.92 | Joback Calculated Property |
| Cp,gas | 730.30 | J/mol×K | 855.74 | Joback Calculated Property |
| Cp,gas | 745.63 | J/mol×K | 896.57 | Joback Calculated Property |
| Cp,gas | 759.50 | J/mol×K | 937.39 | Joback Calculated Property |
| Cp,gas | 771.97 | J/mol×K | 978.22 | Joback Calculated Property |
| Cp,gas | 783.12 | J/mol×K | 1019.04 | Joback Calculated Property |
| Cp,gas | 793.00 | J/mol×K | 1059.87 | Joback Calculated Property |
| η | [0.0000536; 0.0004930] | Pa×s | [475.19; 814.92] |
|
| η | 0.0004930 | Pa×s | 475.19 | Joback Calculated Property |
| η | 0.0002797 | Pa×s | 531.81 | Joback Calculated Property |
| η | 0.0001770 | Pa×s | 588.43 | Joback Calculated Property |
| η | 0.0001213 | Pa×s | 645.06 | Joback Calculated Property |
| η | 0.0000884 | Pa×s | 701.68 | Joback Calculated Property |
| η | 0.0000675 | Pa×s | 758.30 | Joback Calculated Property |
| η | 0.0000536 | Pa×s | 814.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Toluene, 3,4-bis(benzyloxy)-.
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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