- InChI
- InChI=1S/C23H22O3/c1-2-22(19-11-7-4-8-12-19)23(24)26-21-15-13-20(14-16-21)25-17-18-9-5-3-6-10-18/h3-16,22H,2,17H2,1H3
- InChI Key
- PIGCRLOQWZAHMD-UHFFFAOYSA-N
- Formula
- C23H22O3
- SMILES
-
CCC(C(=O)Oc1ccc(OCc2ccccc2)cc1
)c1ccccc1 - Molecular Weight1
- 346.42
- 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).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 39.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.99 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.365 | Crippen Calculated Property | |
| McVol | 276.960 | ml/mol | McGowan Calculated Property |
| Inp | [2701.00; 2701.00] |
|
|
| Inp | 2701.00 | NIST | |
| Inp | 2701.00 | NIST | |
| Tboil | 691.09 | K | Relay (1.0) Calculated Property |
| Tfus | 369.71 | 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 | [838.12; 904.87] | J/mol×K | [891.06; 1134.57] |
|
| Cp,gas | 838.12 | J/mol×K | 891.06 | Joback Calculated Property |
| Cp,gas | 852.99 | J/mol×K | 931.65 | Joback Calculated Property |
| Cp,gas | 866.26 | J/mol×K | 972.23 | Joback Calculated Property |
| Cp,gas | 878.00 | J/mol×K | 1012.82 | Joback Calculated Property |
| Cp,gas | 888.30 | J/mol×K | 1053.40 | Joback Calculated Property |
| Cp,gas | 897.23 | J/mol×K | 1093.99 | Joback Calculated Property |
| Cp,gas | 904.87 | J/mol×K | 1134.57 | Joback Calculated Property |
| η | [0.0000315; 0.0005286] | Pa×s | [490.31; 891.06] |
|
| η | 0.0005286 | Pa×s | 490.31 | Joback Calculated Property |
| η | 0.0002492 | Pa×s | 557.10 | Joback Calculated Property |
| η | 0.0001380 | Pa×s | 623.89 | Joback Calculated Property |
| η | 0.0000857 | Pa×s | 690.68 | Joback Calculated Property |
| η | 0.0000579 | Pa×s | 757.48 | Joback Calculated Property |
| η | 0.0000417 | Pa×s | 824.27 | Joback Calculated Property |
| η | 0.0000315 | Pa×s | 891.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, 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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