- InChI
- InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)
- InChI Key
- RYAQFHLUEMJOMF-UHFFFAOYSA-N
- Formula
- C13H10O3
- SMILES
- O=C(O)c1ccc(Oc2ccccc2)cc1
- Molecular Weight1
- 214.22
- CAS
- 2215-77-2
- Other Names
-
- Benzoic acid, p-phenoxy-
- p-Phenoxybenzoic acid
- Diphenyl ether 4-carboxylic acid
- 4-Phenoxybenzoic acid
- 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 | 0.7768 | Relay (1.0) Calculated Property | |
| ΔfG° | -175.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.177 | Crippen Calculated Property | |
| McVol | 159.820 | ml/mol | McGowan Calculated Property |
| Pc | 3276.53 | kPa | Joback Calculated Property |
| Tboil | 621.11 | K | Relay (1.0) Calculated Property |
| Tc | 905.22 | K | Relay (1.0) Calculated Property |
| Tfus | 452.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.583 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [416.57; 474.68] | J/mol×K | [723.31; 972.24] | 
|
| Cp,gas | 416.57 | J/mol×K | 723.31 | Joback Calculated Property |
| Cp,gas | 428.74 | J/mol×K | 764.80 | Joback Calculated Property |
| Cp,gas | 439.84 | J/mol×K | 806.29 | Joback Calculated Property |
| Cp,gas | 449.92 | J/mol×K | 847.78 | Joback Calculated Property |
| Cp,gas | 459.05 | J/mol×K | 889.27 | Joback Calculated Property |
| Cp,gas | 467.28 | J/mol×K | 930.75 | Joback Calculated Property |
| Cp,gas | 474.68 | J/mol×K | 972.24 | Joback Calculated Property |
| η | [0.0001227; 0.0006477] | Pa×s | [484.46; 723.31] |
|
| η | 0.0006477 | Pa×s | 484.46 | Joback Calculated Property |
| η | 0.0004418 | Pa×s | 524.27 | Joback Calculated Property |
| η | 0.0003180 | Pa×s | 564.08 | Joback Calculated Property |
| η | 0.0002391 | Pa×s | 603.88 | Joback Calculated Property |
| η | 0.0001862 | Pa×s | 643.69 | Joback Calculated Property |
| η | 0.0001493 | Pa×s | 683.50 | Joback Calculated Property |
| η | 0.0001227 | Pa×s | 723.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-phenoxy-.
Sources
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