- InChI
- InChI=1S/C22H20O3/c23-22(16-11-18-7-3-1-4-8-18)25-21-14-12-20(13-15-21)24-17-19-9-5-2-6-10-19/h1-10,12-15H,11,16-17H2
- InChI Key
- ROBBAEHOOIWETD-UHFFFAOYSA-N
- Formula
- C22H20O3
- SMILES
-
O=C(CCc1ccccc1)Oc1ccc(OCc2cccc
c2)cc1 - Molecular Weight1
- 332.39
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 123.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -176.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.62 | kJ/mol | Joback Calculated Property |
| log10WS | -6.05 | Crippen Calculated Property | |
| logPoct/wat | 4.804 | Crippen Calculated Property | |
| McVol | 262.870 | ml/mol | McGowan Calculated Property |
| Pc | 1853.11 | kPa | Joback Calculated Property |
| Inp | [2827.00; 2827.00] |
|
|
| Inp | 2827.00 | NIST | |
| Inp | 2827.00 | NIST | |
| Tboil | 886.49 | K | Joback Calculated Property |
| Tc | 1131.29 | K | Joback Calculated Property |
| Tfus | 523.87 | K | Joback Calculated Property |
| Vc | 0.986 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [784.86; 851.37] | J/mol×K | [886.49; 1131.29] |
|
| Cp,gas | 784.86 | J/mol×K | 886.49 | Joback Calculated Property |
| Cp,gas | 799.42 | J/mol×K | 927.29 | Joback Calculated Property |
| Cp,gas | 812.50 | J/mol×K | 968.09 | Joback Calculated Property |
| Cp,gas | 824.16 | J/mol×K | 1008.89 | Joback Calculated Property |
| Cp,gas | 834.47 | J/mol×K | 1049.69 | Joback Calculated Property |
| Cp,gas | 843.52 | J/mol×K | 1090.49 | Joback Calculated Property |
| Cp,gas | 851.37 | J/mol×K | 1131.29 | Joback Calculated Property |
| η | [0.0000454; 0.0004446] | Pa×s | [523.87; 886.49] |
|
| η | 0.0004446 | Pa×s | 523.87 | Joback Calculated Property |
| η | 0.0002498 | Pa×s | 584.31 | Joback Calculated Property |
| η | 0.0001563 | Pa×s | 644.74 | Joback Calculated Property |
| η | 0.0001060 | Pa×s | 705.18 | Joback Calculated Property |
| η | 0.0000764 | Pa×s | 765.62 | Joback Calculated Property |
| η | 0.0000578 | Pa×s | 826.05 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 886.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylpropionic acid, 4-benzyloxyphenyl ester.
Sources
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