- InChI
- InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)
- InChI Key
- ZPAKPRAICRBAOD-UHFFFAOYSA-N
- Formula
- C16H14O3
- SMILES
-
O=C(O)CCC(=O)c1ccc(-c2ccccc2)c
c1 - Molecular Weight1
- 254.28
- CAS
- 36330-85-5
- Other Names
-
- 3-(4-Biphenylcarbonyl)propionic acid
- 3-(4-Biphenylylcarbonyl)propionic acid
- 3-(4-Biphenylylcarbonyl)propionic acid (fenbufen)
- 3-(4-Phenylbenzoyl)propionic acid
- 4-(4-Biphenylyl)-4-oxobutyric acid
- Bufemid
- Butyric acid 4-(4-biphenyl)-4-oxo-
- CL 82204
- Cinopal
- Cinopol
- Diphenyl-4-«gamma»-oxo-«gamma»-butyric acid
- Diphenyl-4-«gamma»-oxo-«gamma»-butyric acid
- Lederfen
- Napanol
- Propionic acid, 3-(4-biphenylylcarbonyl)-
- [1,1'-Biphenyl]-4-butanoic acid, «gamma»-oxo-
- [1,1'-Biphenyl]-4-butanoic acid, «gamma»-oxo-
- «beta»,p-Phenylbenzoylpropionic acid
- «gamma»-Oxo(1,1'-biphenyl)-4-butanoic acid
- «beta»,p-Phenylbenzoylpropionic acid
- «gamma»-Oxo(1,1'-biphenyl)-4-butanoic acid
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- 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° | -95.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -289.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.17 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 154.90 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 86.59 | kJ/mol | Joback Calculated Property |
| log10WS | [-5.30; -4.53] |
|
|
| log10WS | -4.53 | Aq. Sol... | |
| log10WS | -5.30 | Rytting... | |
| logPoct/wat | 3.401 | Crippen Calculated Property | |
| McVol | 197.790 | ml/mol | McGowan Calculated Property |
| Pc | 2802.44 | kPa | Joback Calculated Property |
| Tboil | 823.74 | K | Joback Calculated Property |
| Tc | 1049.14 | K | Joback Calculated Property |
| Tfus | 459.18 | K | Aq. Sol... |
| Vc | 0.747 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [556.50; 610.94] | J/mol×K | [823.74; 1049.14] |
|
| Cp,gas | 556.50 | J/mol×K | 823.74 | Joback Calculated Property |
| Cp,gas | 567.66 | J/mol×K | 861.31 | Joback Calculated Property |
| Cp,gas | 577.91 | J/mol×K | 898.87 | Joback Calculated Property |
| Cp,gas | 587.30 | J/mol×K | 936.44 | Joback Calculated Property |
| Cp,gas | 595.89 | J/mol×K | 974.01 | Joback Calculated Property |
| Cp,gas | 603.75 | J/mol×K | 1011.57 | Joback Calculated Property |
| Cp,gas | 610.94 | J/mol×K | 1049.14 | Joback Calculated Property |
| η | [0.0000278; 0.0007115] | Pa×s | [496.12; 823.74] |
|
| η | 0.0007115 | Pa×s | 496.12 | Joback Calculated Property |
| η | 0.0003170 | Pa×s | 550.72 | Joback Calculated Property |
| η | 0.0001635 | Pa×s | 605.33 | Joback Calculated Property |
| η | 0.0000940 | Pa×s | 659.93 | Joback Calculated Property |
| η | 0.0000589 | Pa×s | 714.53 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 769.14 | Joback Calculated Property |
| η | 0.0000278 | Pa×s | 823.74 | Joback Calculated Property |
| ΔfusH | [41.10; 46.20] | kJ/mol | [459.30; 462.90] |
|
| ΔfusH | 46.20 | kJ/mol | 459.30 | NIST |
| ΔfusH | 41.10 | kJ/mol | 462.90 | NIST |
Similar Compounds
Find more compounds similar to Fenbufen.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
- NIST Webbook
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