- InChI
- InChI=1S/C20H16O2/c1-15-6-5-9-18(14-15)20(21)22-19-12-10-17(11-13-19)16-7-3-2-4-8-16/h2-14H,1H3
- InChI Key
- VYSBBHOJVYYBGX-UHFFFAOYSA-N
- Formula
- C20H16O2
- SMILES
-
Cc1cccc(C(=O)Oc2ccc(-c3ccccc3)
cc2)c1 - Molecular Weight1
- 288.34
- 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° | 201.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -14.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.42 | kJ/mol | Joback Calculated Property |
| log10WS | -6.64 | Crippen Calculated Property | |
| logPoct/wat | 4.881 | Crippen Calculated Property | |
| McVol | 228.820 | ml/mol | McGowan Calculated Property |
| Pc | 2206.22 | kPa | Joback Calculated Property |
| Inp | 2701.00 | NIST | |
| Tboil | 823.29 | K | Joback Calculated Property |
| Tc | 1081.36 | K | Joback Calculated Property |
| Tfus | 491.62 | K | Joback Calculated Property |
| Vc | 0.856 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [643.78; 714.31] | J/mol×K | [823.29; 1081.36] | 
|
| Cp,gas | 643.78 | J/mol×K | 823.29 | Joback Calculated Property |
| Cp,gas | 658.95 | J/mol×K | 866.30 | Joback Calculated Property |
| Cp,gas | 672.62 | J/mol×K | 909.31 | Joback Calculated Property |
| Cp,gas | 684.91 | J/mol×K | 952.33 | Joback Calculated Property |
| Cp,gas | 695.89 | J/mol×K | 995.34 | Joback Calculated Property |
| Cp,gas | 705.66 | J/mol×K | 1038.35 | Joback Calculated Property |
| Cp,gas | 714.31 | J/mol×K | 1081.36 | Joback Calculated Property |
| η | [0.0000787; 0.0006411] | Pa×s | [491.62; 823.29] |
|
| η | 0.0006411 | Pa×s | 491.62 | Joback Calculated Property |
| η | 0.0003788 | Pa×s | 546.90 | Joback Calculated Property |
| η | 0.0002465 | Pa×s | 602.18 | Joback Calculated Property |
| η | 0.0001724 | Pa×s | 657.46 | Joback Calculated Property |
| η | 0.0001275 | Pa×s | 712.73 | Joback Calculated Property |
| η | 0.0000984 | Pa×s | 768.01 | Joback Calculated Property |
| η | 0.0000787 | Pa×s | 823.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-methyl-, 4-biphenyl ester.
Sources
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