- InChI
- InChI=1S/C22H20O3/c1-16(17-9-5-3-6-10-17)20-15-19(24-2)13-14-21(20)25-22(23)18-11-7-4-8-12-18/h3-16H,1-2H3
- InChI Key
- VHBZEMZRVWNDBY-UHFFFAOYSA-N
- Formula
- C22H20O3
- SMILES
-
COc1ccc(OC(=O)c2ccccc2)c(C(C)c
2ccccc2)c1 - 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° | 110.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -193.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.90 | kJ/mol | Joback Calculated Property |
| log10WS | -6.16 | Crippen Calculated Property | |
| logPoct/wat | 5.066 | Crippen Calculated Property | |
| McVol | 262.870 | ml/mol | McGowan Calculated Property |
| Pc | 1841.99 | kPa | Joback Calculated Property |
| Inp | [2632.00; 2632.00] |
|
|
| Inp | 2632.00 | NIST | |
| Inp | 2632.00 | NIST | |
| Tboil | 891.03 | K | Joback Calculated Property |
| Tc | 1140.32 | K | Joback Calculated Property |
| Tfus | 521.39 | K | Joback Calculated Property |
| Vc | 0.980 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [784.17; 849.85] | J/mol×K | [891.03; 1140.32] |
|
| Cp,gas | 784.17 | J/mol×K | 891.03 | Joback Calculated Property |
| Cp,gas | 798.79 | J/mol×K | 932.58 | Joback Calculated Property |
| Cp,gas | 811.85 | J/mol×K | 974.13 | Joback Calculated Property |
| Cp,gas | 823.42 | J/mol×K | 1015.67 | Joback Calculated Property |
| Cp,gas | 833.57 | J/mol×K | 1057.22 | Joback Calculated Property |
| Cp,gas | 842.35 | J/mol×K | 1098.77 | Joback Calculated Property |
| Cp,gas | 849.85 | J/mol×K | 1140.32 | Joback Calculated Property |
| η | [0.0000423; 0.0004275] | Pa×s | [521.39; 891.03] |
|
| η | 0.0004275 | Pa×s | 521.39 | Joback Calculated Property |
| η | 0.0002371 | Pa×s | 583.00 | Joback Calculated Property |
| η | 0.0001472 | Pa×s | 644.60 | Joback Calculated Property |
| η | 0.0000993 | Pa×s | 706.21 | Joback Calculated Property |
| η | 0.0000714 | Pa×s | 767.82 | Joback Calculated Property |
| η | 0.0000539 | Pa×s | 829.42 | Joback Calculated Property |
| η | 0.0000423 | Pa×s | 891.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-(1-phenylethyl)-4-methoxyphenyl ester.
Sources
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