- InChI
- InChI=1S/C22H20O3/c1-2-17-8-10-19(11-9-17)22(23)25-21-14-12-20(13-15-21)24-16-18-6-4-3-5-7-18/h3-15H,2,16H2,1H3
- InChI Key
- YGLUCBMXAHYNRN-UHFFFAOYSA-N
- Formula
- C22H20O3
- SMILES
-
CCc1ccc(C(=O)Oc2ccc(OCc3ccccc3
)cc2)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° | 113.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -187.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.28 | kJ/mol | Joback Calculated Property |
| log10WS | -6.59 | Crippen Calculated Property | |
| logPoct/wat | 5.047 | Crippen Calculated Property | |
| McVol | 262.870 | ml/mol | McGowan Calculated Property |
| Pc | 1829.41 | kPa | Joback Calculated Property |
| Inp | 2892.00 | NIST | |
| Tboil | 891.47 | K | Joback Calculated Property |
| Tc | 1136.96 | K | Joback Calculated Property |
| Tfus | 536.39 | K | Joback Calculated Property |
| Vc | 0.986 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [783.63; 849.11] | J/mol×K | [891.47; 1136.96] | 
|
| Cp,gas | 783.63 | J/mol×K | 891.47 | Joback Calculated Property |
| Cp,gas | 798.08 | J/mol×K | 932.39 | Joback Calculated Property |
| Cp,gas | 811.02 | J/mol×K | 973.30 | Joback Calculated Property |
| Cp,gas | 822.53 | J/mol×K | 1014.22 | Joback Calculated Property |
| Cp,gas | 832.67 | J/mol×K | 1055.13 | Joback Calculated Property |
| Cp,gas | 841.51 | J/mol×K | 1096.05 | Joback Calculated Property |
| Cp,gas | 849.11 | J/mol×K | 1136.96 | Joback Calculated Property |
| η | [0.0000463; 0.0003898] | Pa×s | [536.39; 891.47] |
|
| η | 0.0003898 | Pa×s | 536.39 | Joback Calculated Property |
| η | 0.0002290 | Pa×s | 595.57 | Joback Calculated Property |
| η | 0.0001482 | Pa×s | 654.75 | Joback Calculated Property |
| η | 0.0001030 | Pa×s | 713.93 | Joback Calculated Property |
| η | 0.0000757 | Pa×s | 773.11 | Joback Calculated Property |
| η | 0.0000582 | Pa×s | 832.29 | Joback Calculated Property |
| η | 0.0000463 | Pa×s | 891.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, 4-benzyloxyphenyl ester.
Sources
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