- InChI
- InChI=1S/C21H18O3/c1-16-7-5-6-10-20(16)21(22)24-19-13-11-18(12-14-19)23-15-17-8-3-2-4-9-17/h2-14H,15H2,1H3
- InChI Key
- VAUDJIBDOMUTDP-UHFFFAOYSA-N
- Formula
- C21H18O3
- SMILES
-
Cc1ccccc1C(=O)Oc1ccc(OCc2ccccc
2)cc1 - Molecular Weight1
- 318.37
- CAS
- 306743-69-1
- Other Names
-
- o-Toluylic acid, 4-benzyloxyphenyl ester
- 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° | 104.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -167.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.06 | kJ/mol | Joback Calculated Property |
| log10WS | -6.26 | Crippen Calculated Property | |
| logPoct/wat | 4.793 | Crippen Calculated Property | |
| McVol | 248.780 | ml/mol | McGowan Calculated Property |
| Pc | 1989.43 | kPa | Joback Calculated Property |
| Inp | [2701.00; 2701.00] |
|
|
| Inp | 2701.00 | NIST | |
| Inp | 2701.00 | NIST | |
| Tboil | 868.59 | K | Joback Calculated Property |
| Tc | 1118.04 | K | Joback Calculated Property |
| Tfus | 525.12 | K | Joback Calculated Property |
| Vc | 0.929 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [726.51; 791.81] | J/mol×K | [868.59; 1118.04] |
|
| Cp,gas | 726.51 | J/mol×K | 868.59 | Joback Calculated Property |
| Cp,gas | 740.96 | J/mol×K | 910.17 | Joback Calculated Property |
| Cp,gas | 753.89 | J/mol×K | 951.74 | Joback Calculated Property |
| Cp,gas | 765.38 | J/mol×K | 993.32 | Joback Calculated Property |
| Cp,gas | 775.49 | J/mol×K | 1034.89 | Joback Calculated Property |
| Cp,gas | 784.28 | J/mol×K | 1076.47 | Joback Calculated Property |
| Cp,gas | 791.81 | J/mol×K | 1118.04 | Joback Calculated Property |
| η | [0.0000528; 0.0004271] | Pa×s | [525.12; 868.59] |
|
| η | 0.0004271 | Pa×s | 525.12 | Joback Calculated Property |
| η | 0.0002540 | Pa×s | 582.37 | Joback Calculated Property |
| η | 0.0001658 | Pa×s | 639.61 | Joback Calculated Property |
| η | 0.0001161 | Pa×s | 696.86 | Joback Calculated Property |
| η | 0.0000858 | Pa×s | 754.10 | Joback Calculated Property |
| η | 0.0000662 | Pa×s | 811.34 | Joback Calculated Property |
| η | 0.0000528 | Pa×s | 868.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-methyl-, 4-benzyloxyphenyl ester.
Sources
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