- InChI
- InChI=1S/C20H16O3/c1-22-18-11-9-17(10-12-18)20(21)23-19-13-7-16(8-14-19)15-5-3-2-4-6-15/h2-14H,1H3
- InChI Key
- QXSYNKWEBROFDJ-UHFFFAOYSA-N
- Formula
- C20H16O3
- SMILES
-
COc1ccc(C(=O)Oc2ccc(-c3ccccc3)
cc2)cc1 - Molecular Weight1
- 304.34
- 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° | 96.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -146.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.83 | kJ/mol | Joback Calculated Property |
| log10WS | -6.28 | Crippen Calculated Property | |
| logPoct/wat | 4.581 | Crippen Calculated Property | |
| McVol | 234.690 | ml/mol | McGowan Calculated Property |
| Pc | 2171.40 | kPa | Joback Calculated Property |
| Inp | 2867.00 | NIST | |
| Tboil | 845.71 | K | Joback Calculated Property |
| Tc | 1099.79 | K | Joback Calculated Property |
| Tfus | 513.85 | K | Joback Calculated Property |
| Vc | 0.874 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [670.17; 735.05] | J/mol×K | [845.71; 1099.79] | 
|
| Cp,gas | 670.17 | J/mol×K | 845.71 | Joback Calculated Property |
| Cp,gas | 684.58 | J/mol×K | 888.06 | Joback Calculated Property |
| Cp,gas | 697.47 | J/mol×K | 930.40 | Joback Calculated Property |
| Cp,gas | 708.90 | J/mol×K | 972.75 | Joback Calculated Property |
| Cp,gas | 718.93 | J/mol×K | 1015.09 | Joback Calculated Property |
| Cp,gas | 727.63 | J/mol×K | 1057.44 | Joback Calculated Property |
| Cp,gas | 735.05 | J/mol×K | 1099.79 | Joback Calculated Property |
| η | [0.0000601; 0.0004657] | Pa×s | [513.85; 845.71] |
|
| η | 0.0004657 | Pa×s | 513.85 | Joback Calculated Property |
| η | 0.0002805 | Pa×s | 569.16 | Joback Calculated Property |
| η | 0.0001848 | Pa×s | 624.47 | Joback Calculated Property |
| η | 0.0001303 | Pa×s | 679.78 | Joback Calculated Property |
| η | 0.0000968 | Pa×s | 735.09 | Joback Calculated Property |
| η | 0.0000750 | Pa×s | 790.40 | Joback Calculated Property |
| η | 0.0000601 | Pa×s | 845.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methoxybenzoic acid, 4-biphenyl ester.
Sources
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