- InChI
- InChI=1S/C17H18O5/c1-19-11-12-20-17(18)22-16-9-7-15(8-10-16)21-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3
- InChI Key
- IHGDDUZRHFUVPA-UHFFFAOYSA-N
- Formula
- C17H18O5
- SMILES
-
COCCOC(=O)Oc1ccc(OCc2ccccc2)cc
1 - Molecular Weight1
- 302.32
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -620.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.427 | Crippen Calculated Property | |
| McVol | 227.920 | ml/mol | McGowan Calculated Property |
| Inp | 2443.00 | NIST | |
| Tboil | 659.45 | K | Relay (1.0) Calculated Property |
| Tc | 870.53 | K | Relay (1.0) Calculated Property |
| Tfus | 311.82 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [647.94; 718.32] | J/mol×K | [772.38; 992.53] | 
|
| Cp,gas | 647.94 | J/mol×K | 772.38 | Joback Calculated Property |
| Cp,gas | 662.90 | J/mol×K | 809.07 | Joback Calculated Property |
| Cp,gas | 676.57 | J/mol×K | 845.76 | Joback Calculated Property |
| Cp,gas | 688.95 | J/mol×K | 882.45 | Joback Calculated Property |
| Cp,gas | 700.03 | J/mol×K | 919.15 | Joback Calculated Property |
| Cp,gas | 709.83 | J/mol×K | 955.84 | Joback Calculated Property |
| Cp,gas | 718.32 | J/mol×K | 992.53 | Joback Calculated Property |
| η | [0.0000437; 0.0004877] | Pa×s | [455.73; 772.38] |
|
| η | 0.0004877 | Pa×s | 455.73 | Joback Calculated Property |
| η | 0.0002647 | Pa×s | 508.50 | Joback Calculated Property |
| η | 0.0001612 | Pa×s | 561.28 | Joback Calculated Property |
| η | 0.0001069 | Pa×s | 614.05 | Joback Calculated Property |
| η | 0.0000757 | Pa×s | 666.83 | Joback Calculated Property |
| η | 0.0000563 | Pa×s | 719.60 | Joback Calculated Property |
| η | 0.0000437 | Pa×s | 772.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, 2-methoxyethyl 4-benzyloxyphenyl 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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