Chemical Properties of Ketoprofen (CAS 22071-15-4)

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)
• (.+/-.)-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-Benzoylhydratropic acid
• Alrheumat
• Alrheumun
• Aneol
• 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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-386.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.11	kJ/mol	Joback Calculated Property
ΔvapH°	107.65	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	2637.96	kPa	Joback Calculated Property
Inp	2185.00		NIST
Tboil	630.13	K	Relay (1.0) Calculated Property
Tc	927.83	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

Cheméo can also estimate Critical Volume, 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

Property	Value	Unit	Temperature (K)	Source
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.17; 605.03]	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			-5.48900e+01
Coefficient B			1.33522e+00
Coefficient C			-8.99060e-04
Coefficient D			2.23760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	247.17	J/mol×K	273.00	Calculated Property
Cp,gas	314.86	J/mol×K	353.78	Calculated Property
Cp,gas	373.92	J/mol×K	434.56	Calculated Property
Cp,gas	425.05	J/mol×K	515.33	Calculated Property
Cp,gas	468.97	J/mol×K	596.11	Calculated Property
Cp,gas	506.37	J/mol×K	676.89	Calculated Property
Cp,gas	537.97	J/mol×K	757.67	Calculated Property
Cp,gas	564.48	J/mol×K	838.44	Calculated Property
Cp,gas	586.59	J/mol×K	919.22	Calculated Property
Cp,gas	605.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0078719; 0.0001430]	Pa×s	[367.06; 748.93]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.27055e+01
Coefficient B			2.88553e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			367.06
Temperature range, max.			748.93
η	0.0078719	Pa×s	367.06	Calculated Property
η	0.0034861	Pa×s	409.49	Calculated Property
η	0.0017990	Pa×s	451.92	Calculated Property
η	0.0010400	Pa×s	494.35	Calculated Property
η	0.0006556	Pa×s	536.78	Calculated Property
η	0.0004422	Pa×s	579.21	Calculated Property
η	0.0003147	Pa×s	621.64	Calculated Property
η	0.0002340	Pa×s	664.07	Calculated Property
η	0.0001802	Pa×s	706.50	Calculated Property
η	0.0001430	Pa×s	748.93	Calculated Property

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

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