Chemical Properties of Alclofenac

InChI

InChI=1S/C11H11ClO3/c1-2-5-15-10-4-3-8(6-9(10)12)7-11(13)14/h2-4,6H,1,5,7H2,(H,13,14)

InChI Key

ARHWPKZXBHOEEE-UHFFFAOYSA-N

Formula

C11H11ClO3

SMILES

C=CCOc1ccc(CC(=O)O)cc1Cl

Molecular Weight¹

226.66

Other Names

• 3-Chloro-4-(2-propenyloxy)benzeneacetic acid
• Acetic acid, [4-(allyloxy)-3-chlorophenyl]-
• Alclophenac
• Allopydin
• Argun
• Benzeneacetic acid, 3-chloro-4-(2-propenyloxy)-
• Epinal
• Kyselina 4-allyloxy-3-chlorfenyloctova
• MY 101
• Medifenac
• Mervan
• Neosten
• Neoston
• Prinalgin
• Reufenac
• W 7320
• Zumaril
• [3-Chloro-4-(allyloxy)phenyl]acetic acid
• [4-(Allyloxy)-3-chlorophenyl]acetic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.30; 471.26]	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			2.75820e+01
Coefficient B			8.25300e-01
Coefficient C			-4.76620e-04
Coefficient D			9.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	219.30	J/mol×K	273.00	Calculated Property
Cp,gas	264.11	J/mol×K	353.78	Calculated Property
Cp,gas	304.01	J/mol×K	434.56	Calculated Property
Cp,gas	339.31	J/mol×K	515.33	Calculated Property
Cp,gas	370.31	J/mol×K	596.11	Calculated Property
Cp,gas	397.30	J/mol×K	676.89	Calculated Property
Cp,gas	420.60	J/mol×K	757.67	Calculated Property
Cp,gas	440.49	J/mol×K	838.44	Calculated Property
Cp,gas	457.27	J/mol×K	919.22	Calculated Property
Cp,gas	471.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006559; 0.0001944]	Pa×s	[476.18; 638.86]	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			-1.21056e+01
Coefficient B			2.27429e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			476.18
Temperature range, max.			638.86
η	0.0006559	Pa×s	476.18	Calculated Property
η	0.0005508	Pa×s	494.26	Calculated Property
η	0.0004683	Pa×s	512.33	Calculated Property
η	0.0004025	Pa×s	530.41	Calculated Property
η	0.0003495	Pa×s	548.48	Calculated Property
η	0.0003062	Pa×s	566.56	Calculated Property
η	0.0002704	Pa×s	584.63	Calculated Property
η	0.0002407	Pa×s	602.71	Calculated Property
η	0.0002156	Pa×s	620.78	Calculated Property
η	0.0001944	Pa×s	638.86	Calculated Property

Similar Compounds

Find more compounds similar to Alclofenac.

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
• Joback Method
• Aqueous and cosolvent solubility data for drug-like organic compounds
• 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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