Chemical Properties of Flurbiprofen (CAS 5104-49-4)

InChI

InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)

InChI Key

SYTBZMRGLBWNTM-UHFFFAOYSA-N

Formula

C15H13FO2

SMILES

CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1

Molecular Weight¹

244.26

CAS

5104-49-4

Other Names

• (.+/-.)-2-(2-Fluoro-4-biphenylyl)propionic acid
• (.+/-.)-2-Fluoro-«alpha»-methyl-4-biphenylacetic acid
• (.+/-.)-Flurbiprofen
• 2-(2-fluoro-4-biphenyl)propionic acid
• 2-(2-fluoro-4-biphenylyl)propanoic acid
• 2-(2-fluoro-4-biphenylyl)propionic acid
• 2-Fluoro-«alpha»-methyl(1,1'-biphenyl)-4-acetic acid
• 2-Fluoro-«alpha»-methyl-4-biphenylacetic acid
• 2-Fluoro-«alpha»-methyl[1,1'-biphenyl]-4-acetic acid (flurbiprofen)
• 3-fluoro-4-phenylhydratropic acid
• 4-Biphenylacetic acid, 2-fluoro-«alpha»-methyl-
• 4-biphenylacetic acid, 2-fluoro-.alpha.-methyl-
• Adfeed
• Ansaid
• Antadys
• BTS 18322
• Cebutid
• FP 70
• Flurofen
• Froben
• Stayban
• U-27182
• Zepolas
• [1,1'-Biphenyl]-4-acetic acid, 2-fluoro-«alpha»-methyl-
• [1,1'-Biphenyl]-4-acetic acid, 2-fluoro-«alpha»-methyl-, (.+/-.)-
• [1,1'-biphenyl]-4-acetic acid, 2-fluoro-.alpha.-methyl-
• dl-Flurbiprofen
• hydratropic acid, 3-fluoro-4-phenyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[235.78; 568.45]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.09500e+01
Coefficient B			1.22052e+00
Coefficient C			-8.12720e-04
Coefficient D			2.01600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	235.78	J/mol×K	273.00	Calculated Property
Cp,gas	298.05	J/mol×K	353.78	Calculated Property
Cp,gas	352.50	J/mol×K	434.56	Calculated Property
Cp,gas	399.78	J/mol×K	515.33	Calculated Property
Cp,gas	440.52	J/mol×K	596.11	Calculated Property
Cp,gas	475.36	J/mol×K	676.89	Calculated Property
Cp,gas	504.93	J/mol×K	757.67	Calculated Property
Cp,gas	529.88	J/mol×K	838.44	Calculated Property
Cp,gas	550.84	J/mol×K	919.22	Calculated Property
Cp,gas	568.45	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Flurbiprofen.

Mixtures

• Carbon dioxide + Flurbiprofen
• Carbon dioxide + Methyl Alcohol + Flurbiprofen
• Carbon dioxide + Ethanol + Flurbiprofen

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Solubility of Flurbiprofen in Supercritical Carbon Dioxide
• Solubility of Flurbiprofen in CO2 and CO2 + Methanol
• 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. Take the time to validate and double check the source of the data.
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