- 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° | -96.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.32 | 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 | 3538.87 | kPa | Joback Calculated Property |
| Tboil | 621.11 | K | Relay (1.0) Calculated Property |
| Tc | 903.18 | K | Relay (1.0) Calculated Property |
| Tfus | 453.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.577 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.87; 468.14] | J/mol×K | [723.65; 951.31] | 
|
| Cp,gas | 413.87 | J/mol×K | 723.65 | Joback Calculated Property |
| Cp,gas | 425.06 | J/mol×K | 761.59 | Joback Calculated Property |
| Cp,gas | 435.34 | J/mol×K | 799.54 | Joback Calculated Property |
| Cp,gas | 444.75 | J/mol×K | 837.48 | Joback Calculated Property |
| Cp,gas | 453.33 | J/mol×K | 875.43 | Joback Calculated Property |
| Cp,gas | 461.11 | J/mol×K | 913.37 | Joback Calculated Property |
| Cp,gas | 468.14 | J/mol×K | 951.31 | Joback Calculated Property |
| η | [0.0000378; 0.0010708] | Pa×s | [434.61; 723.65] |
|
| η | 0.0010708 | Pa×s | 434.61 | Joback Calculated Property |
| η | 0.0004645 | Pa×s | 482.78 | Joback Calculated Property |
| η | 0.0002344 | Pa×s | 530.96 | Joback Calculated Property |
| η | 0.0001326 | Pa×s | 579.13 | Joback Calculated Property |
| η | 0.0000819 | Pa×s | 627.30 | Joback Calculated Property |
| η | 0.0000541 | Pa×s | 675.48 | Joback Calculated Property |
| η | 0.0000378 | Pa×s | 723.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-phenoxy-.
Sources
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