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
• (.+/-.)-2-Fluoro-«alpha»-methyl-4-biphenylacetic acid
• (.+/-.)-Flurbiprofen
• 2-(2-Fluoro-4-biphenylyl)propionic acid
• 2-(2-fluoro-4-biphenyl)propionic acid
• 2-(2-fluoro-4-biphenylyl)propanoic 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)
• 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-
• 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-
• [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-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[499.82; 559.20]	J/mol×K	[750.80; 969.56]
Cp,gas	499.82	J/mol×K	750.80	Joback Calculated Property
Cp,gas	511.81	J/mol×K	787.26	Joback Calculated Property
Cp,gas	522.89	J/mol×K	823.72	Joback Calculated Property
Cp,gas	533.12	J/mol×K	860.18	Joback Calculated Property
Cp,gas	542.55	J/mol×K	896.64	Joback Calculated Property
Cp,gas	551.23	J/mol×K	933.10	Joback Calculated Property
Cp,gas	559.20	J/mol×K	969.56	Joback Calculated Property
ΔfusH	27.90	kJ/mol	386.70	NIST
ΔsubH	108.40 ± 0.50	kJ/mol	354.50	NIST

Similar Compounds

Find more compounds similar to Flurbiprofen.

Mixtures

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

Sources

• Cheméo Relay (1.0)
• 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.