- InChI
- InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
- InChI Key
- DKYWVDODHFEZIM-UHFFFAOYSA-N
- Formula
- C16H14O3
- SMILES
-
CC(C(=O)O)c1cccc(C(=O)c2ccccc2
)c1 - Molecular Weight1
- 254.28
- CAS
- 22071-15-4
- Other Names
-
- (+)«alpha»-(3-benzoylphenyl)propionic acid ((+)-ketoprofen)
- (+)«alpha»-(3-benzoylphenyl)propionic acid ((+)-ketoprofen)
- (.+/-.)-3-Benzoyl-«alpha»-methylbenzeneacetic acid
- (.+/-.)-3-Benzoyl-«alpha»-methylbenzeneacetic acid
- (.+/-.)-m-Benzoylhydratropic acid
- 19583 RP
- 2-(3-Benzoylphenyl)propionic acid
- 2-(m-Benzoylphenyl)propionic acid
- 3-Benzoyl-«alpha»-methylbenzeneacetic acid
- 3-Benzoyl-«alpha»-methylbenzeneacetic acid
- 3-Benzoylhydratropic acid
- Alrheumat
- Alrheumun
- Aneol
- Benzeneacetic acid, 3-benzoyl-«alpha»-methyl-
- Benzeneacetic acid, 3-benzoyl-«alpha»-methyl-
- Capisten
- Dexal
- Epatec
- Fastum
- Iso-K
- Kefenid
- Ketoprofene
- Ketopron
- Lertus
- Menamin
- Meprofen
- Orudis
- Orugesic
- Oruvail
- Oscorel
- Profenid
- Propionic acid, 2-(3-benzoylphenyl)-
- RP-19583
- RU 4733
- Racemic ketoprofen
- Toprec
- Toprek
- m-Benzoylhydratropic 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- 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 |
|---|---|---|---|
| ω | 0.7862 | Relay (1.0) Calculated Property | |
| ΔfG° | -98.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | [-3.45; -3.21] |
|
|
| log10WS | -3.45 | Aq. Solubility Prediction | |
| log10WS | -3.21 | Aq. Solubility Prediction | |
| logPoct/wat | 3.106 | Crippen Calculated Property | |
| McVol | 197.790 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Inp | 2185.00 | NIST | |
| Tboil | 630.13 | K | Relay (1.0) Calculated Property |
| Tc | 926.02 | K | Relay (1.0) Calculated Property |
| Tfus | [367.01; 367.12] | K |
|
| Tfus | 367.12 | K | Aq. Solubility Prediction |
| Tfus | 367.01 | K | Aq. Solubility Prediction |
| Vc | 0.695 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [557.11; 611.91] | J/mol×K | [823.30; 1052.13] |
|
| Cp,gas | 557.11 | J/mol×K | 823.30 | Joback Calculated Property |
| Cp,gas | 568.42 | J/mol×K | 861.44 | Joback Calculated Property |
| Cp,gas | 578.78 | J/mol×K | 899.58 | Joback Calculated Property |
| Cp,gas | 588.24 | J/mol×K | 937.72 | Joback Calculated Property |
| Cp,gas | 596.87 | J/mol×K | 975.85 | Joback Calculated Property |
| Cp,gas | 604.74 | J/mol×K | 1013.99 | Joback Calculated Property |
| Cp,gas | 611.91 | J/mol×K | 1052.13 | Joback Calculated Property |
| η | [0.0000255; 0.0008679] | Pa×s | [481.12; 823.30] |
|
| η | 0.0008679 | Pa×s | 481.12 | Joback Calculated Property |
| η | 0.0003532 | Pa×s | 538.15 | Joback Calculated Property |
| η | 0.0001707 | Pa×s | 595.18 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 652.21 | Joback Calculated Property |
| η | 0.0000567 | Pa×s | 709.24 | Joback Calculated Property |
| η | 0.0000369 | Pa×s | 766.27 | Joback Calculated Property |
| η | 0.0000255 | Pa×s | 823.30 | Joback Calculated Property |
| ΔfusH | [25.04; 37.30] | kJ/mol | [367.40; 369.00] |
|
| ΔfusH | 28.23 | kJ/mol | 367.40 | NIST |
| ΔfusH | 37.30 | kJ/mol | 368.00 | NIST |
| ΔfusH | 25.04 | kJ/mol | 369.00 | NIST |
| ΔsubH | 110.10 ± 0.50 | kJ/mol | 353.00 | NIST |
Similar Compounds
Find more compounds similar to Ketoprofen.
Mixtures
- Ketoprofen + Cyclohexane
- Propylene Glycol + Ketoprofen + Water
- Carbon dioxide + Ketoprofen
- Ketoprofen + Water
- Ketoprofen + Ethanol
- Ketoprofen + Ethanol + Water
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Thermodynamic analysis of the solubility of ketoprofen in some propylene glycol + water cosolvent mixtures
- Solubility and Speciation of Ketoprofen and Aspirin in Supercritical CO2 by Infrared Spectroscopy
- The Solubility of Benzocaine, Lidocaine, and Procaine in Liquid and Supercritical Carbon Dioxide
- Solution Thermodynamics of Ketoprofen in Ethanol + Water Cosolvent Mixtures
- Joback Method
- Aqueous Solubility Prediction Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.