- InChI
- InChI=1S/C19H14O2/c20-19(17-9-5-2-6-10-17)21-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14H
- InChI Key
- CINHWMYRCOGYIX-UHFFFAOYSA-N
- Formula
- C19H14O2
- SMILES
-
O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc
cc1 - Molecular Weight1
- 274.32
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6676 | Relay (1.0) Calculated Property | |
| ΔfG° | 126.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -36.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.573 | Crippen Calculated Property | |
| McVol | 214.730 | ml/mol | McGowan Calculated Property |
| Pc | 2358.78 | kPa | Joback Calculated Property |
| Tboil | 669.70 | K | Relay (1.0) Calculated Property |
| Tc | 967.59 | K | Relay (1.0) Calculated Property |
| Tfus | 392.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.785 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [586.19; 656.59] | J/mol×K | [777.56; 1039.58] | 
|
| Cp,gas | 586.19 | J/mol×K | 777.56 | Joback Calculated Property |
| Cp,gas | 601.64 | J/mol×K | 821.23 | Joback Calculated Property |
| Cp,gas | 615.46 | J/mol×K | 864.90 | Joback Calculated Property |
| Cp,gas | 627.76 | J/mol×K | 908.57 | Joback Calculated Property |
| Cp,gas | 638.64 | J/mol×K | 952.24 | Joback Calculated Property |
| Cp,gas | 648.22 | J/mol×K | 995.91 | Joback Calculated Property |
| Cp,gas | 656.59 | J/mol×K | 1039.58 | Joback Calculated Property |
| η | [0.0000772; 0.0009695] | Pa×s | [438.00; 777.56] |
|
| η | 0.0009695 | Pa×s | 438.00 | Joback Calculated Property |
| η | 0.0004995 | Pa×s | 494.59 | Joback Calculated Property |
| η | 0.0002949 | Pa×s | 551.19 | Joback Calculated Property |
| η | 0.0001921 | Pa×s | 607.78 | Joback Calculated Property |
| η | 0.0001346 | Pa×s | 664.37 | Joback Calculated Property |
| η | 0.0000997 | Pa×s | 720.97 | Joback Calculated Property |
| η | 0.0000772 | Pa×s | 777.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-biphenyl ester.
Sources
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