- InChI
- InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
- InChI Key
- HEFNNWSXXWATRW-UHFFFAOYSA-N
- Formula
- C13H18O2
- SMILES
- CC(C)Cc1ccc(C(C)C(=O)O)cc1
- Molecular Weight1
- 206.28
- CAS
- 15687-27-1
- Other Names
-
- (.+/-.)-2-(p-Isobutylphenyl)propionic acid
- (.+/-.)-p-Isobutylhydratropic acid
- (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid
- (RS)-Ibuprofen
- (S)-2-(4-isobutylphenyl)propanoic acid
- (±) «alpha»-methyl-4-(isobutyl)phenylacetic acid (ibuprofen)
- 2-(4-Isobutylphenyl)propanoic acid
- 2-(p-Isobutylphenyl)propionic acid
- 4-Isobutyl-«alpha»-methylphenylacetic acid
- 4-Isobutylhydratropic acid
- 4-Isobutylphenyl)-«alpha»-methylacetic acid
- Acide (isobutyl-4 phenyl)-2 propionique
- Adran
- Advil
- Andran
- Anflagen
- Apsifen
- Artril 300
- Benzeneacetic acid, «alpha»-methyl-4-(2-methylpropyl), (.+/-.)-
- Benzeneacetic acid, «alpha»-methyl-4-(2-methylpropyl)-
- Bluton
- Brufanic
- Brufen
- Buburone
- Burana
- Butacortelone
- Butylenin
- Carol
- Cobo
- Dibufen
- Dolgin
- Dolgit
- Ebufac
- Emodin
- Epobron
- Haltran
- Hydratropic acid, p-isobutyl-
- IP-82
- Ibu-slo
- Ibufen
- Ibupril
- Ibuprocin
- Lamidon
- Liptan
- Medipren
- Midol 200
- Motrin
- Mynosedin
- Napacetin
- Nobfelon
- Nobfen
- Nobgen
- Nuprin
- Nurofen
- Optifen
- Ostofen
- Panafen
- Pantrop
- PediaProfen
- Proartinal
- Proflex
- Propanoic acid, 2-(4-isobutylphenyl)
- Quadrax
- R.D. 13621
- RD 13621
- Rebugen
- Roidenin
- S-(+)-ibuprofen
- S-ibuprofen
- Trendar
- U-18,573
- Uprofen
- dexibuprofen
- p-Isobutyl-2-phenylpropionic acid
- p-Isobutylhydratropic acid
- «alpha»-(4-Isobutylphenyl)propionic acid
- «alpha»-(p-isobutylphenyl)propionic acid
- «alpha»-2-(p-Isobutylphenyl)propionic acid
- «alpha»-Methyl-4-(2-methylpropyl)benzeneacetic acid
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Csat : Molar heat capacity at saturation pressure (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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
Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [478.65; 553.34] | J/mol×K | [673.33; 891.47] | 
|
| Cp,gas | 478.65 | J/mol×K | 673.33 | Joback Calculated Property |
| Cp,gas | 493.33 | J/mol×K | 709.69 | Joback Calculated Property |
| Cp,gas | 507.05 | J/mol×K | 746.04 | Joback Calculated Property |
| Cp,gas | 519.86 | J/mol×K | 782.40 | Joback Calculated Property |
| Cp,gas | 531.82 | J/mol×K | 818.76 | Joback Calculated Property |
| Cp,gas | 542.96 | J/mol×K | 855.11 | Joback Calculated Property |
| Cp,gas | 553.34 | J/mol×K | 891.47 | Joback Calculated Property |
| Csat | [301.40; 361.40] | J/mol×K | [300.15; 336.15] |
|
| Csat | 301.40 | J/mol×K | 300.15 | Interpretation of the global heat of melting in eutectic binary systems |
| Csat | 309.10 | J/mol×K | 304.15 | Interpretation of the global heat of melting in eutectic binary systems |
| Csat | 315.90 | J/mol×K | 308.15 | Interpretation of the global heat of melting in eutectic binary systems |
| Csat | 322.30 | J/mol×K | 312.15 | Interpretation of the global heat of melting in eutectic binary systems |
| Csat | 328.50 | J/mol×K | 316.15 | Interpretation of the global heat of melting in eutectic binary systems |
| Csat | 334.70 | J/mol×K | 320.15 | Interpretation of the global heat of melting in eutectic binary systems |
| Csat | 341.00 | J/mol×K | 324.15 | Interpretation of the global heat of melting in eutectic binary systems |
| Csat | 347.40 | J/mol×K | 328.15 | Interpretation of the global heat of melting in eutectic binary systems |
| Csat | 354.00 | J/mol×K | 332.15 | Interpretation of the global heat of melting in eutectic binary systems |
| Csat | 361.40 | J/mol×K | 336.15 | Interpretation of the global heat of melting in eutectic binary systems |
| η | [0.0001350; 0.0013629] | Pa×s | [405.81; 673.33] |
|
| η | 0.0013629 | Pa×s | 405.81 | Joback Calculated Property |
| η | 0.0007662 | Pa×s | 450.40 | Joback Calculated Property |
| η | 0.0004778 | Pa×s | 494.98 | Joback Calculated Property |
| η | 0.0003221 | Pa×s | 539.57 | Joback Calculated Property |
| η | 0.0002307 | Pa×s | 584.16 | Joback Calculated Property |
| η | 0.0001732 | Pa×s | 628.74 | Joback Calculated Property |
| η | 0.0001350 | Pa×s | 673.33 | Joback Calculated Property |
| ΔfusH | [25.70; 39.50] | kJ/mol | [346.40; 350.90] |
|
| ΔfusH | 26.60 | kJ/mol | 346.40 | NIST |
| ΔfusH | 27.94 | kJ/mol | 347.60 | NIST |
| ΔfusH | 26.65 | kJ/mol | 348.00 | NIST |
| ΔfusH | 39.50 | kJ/mol | 350.40 | NIST |
| ΔfusH | 25.70 | kJ/mol | 350.90 | NIST |
Similar Compounds
Find more compounds similar to Ibuprofen.
Mixtures
- Ibuprofen + Propylene Glycol + Ethanol
- Ibuprofen + Methyl Alcohol
- Ibuprofen + 1-Butanol
- Ibuprofen + 1-Propanol, 2-methyl-
- Ibuprofen + 1-Pentanol
- Ibuprofen + 1-Octanol
- Ibuprofen + Water
- Ibuprofen + Ethanol
- Ibuprofen + Ethanol + Water
- Ibuprofen + Carbon dioxide
- 1-Propanol + Ibuprofen
- Ibuprofen + 2-Propanol
- Ibuprofen + 1-Butanol, 3-methyl-
- Ibuprofen + Acetone
- Ibuprofen + Ethyl Acetate
- n-Hexane + Ibuprofen
- Ibuprofen + Ethanol + Niacinamide
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Thermodynamic study of the solubility of ibuprofen and naproxen in some ethanol + propylene glycol mixtures
- Solubility studies on the system of trihexyl(tetradecyl)phosphonium bis[(trifluoromethyl)sulfonyl]amide) ionic liquid and pharmaceutical and bioactive compounds
- Solubilities of pharmaceutical and bioactive compounds in trihexyl(tetradecyl)phosphonium chloride ionic liquid
- Solid-state interaction of ibuprofen and Neusilin US2
- Measurement and Correlation for Solubility of Dexibuprofen in Different Solvents from (263.15 to 293.15) K
- Interpretation of the global heat of melting in eutectic binary systems
- Measurement and Correlation of the Solid-Liquid-Gas Equilibria for the Carbon Dioxide + S-(+)-Ibuprofen and Carbon Dioxide + RS-(+/-)-Ibuprofen Systems
- Solubility of Anti-Inflammatory, Anti-Cancer, and Anti-HIV Drugs in Supercritical Carbon Dioxide
- Solubilities of Ibuprofen in Different Pure Solvents
- Solubilities of Pharmaceutical Compounds in Ionic Liquids
- Phase Equilibria of the System Drug + Water
- Solubility of Dexibuprofen in Different Solvents from (263.15 to 293.15) K
- Effect of Solvent Composition and Temperature on the Solubility of Ibuprofen in Aqueous Ethanol
- Solid-Liquid Phase Equilibrium and Ternary Phase Diagrams of Ibuprofen-Nicotinamide Cocrystals in Ethanol and Ethanol/Water Mixtures at (298.15 and 313.15) K
- Joback 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.
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