Chemical Properties of aceclofenac

InChI

InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)

InChI Key

MNIPYSSQXLZQLJ-UHFFFAOYSA-N

Formula

C16H13Cl2NO4

SMILES

O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

Molecular Weight¹

354.19

Other Names

• 2-(2-(2-((2,6-dichlorophenyl)amino)phenyl)acetoxy)acetic acid
• Aceclo
• Aceclofar
• Aceclofenac BP
• Acepac
• Airtal
• Biofenac
• Bristaflam
• Dolokind
• Falcol
• Flexidol
• Gerbin
• Hifenac
• Hifenac-TL
• Preservex
• Tresquim
• Zerodol
• glycolic acid 2-[o-(2,6-dichloroanilino)phenyl]acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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	[310.99; 670.93]	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			1.80120e+01
Coefficient B			1.27330e+00
Coefficient C			-7.75280e-04
Coefficient D			1.54900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	310.99	J/mol×K	273.00	Calculated Property
Cp,gas	378.30	J/mol×K	353.78	Calculated Property
Cp,gas	437.64	J/mol×K	434.56	Calculated Property
Cp,gas	489.50	J/mol×K	515.33	Calculated Property
Cp,gas	534.36	J/mol×K	596.11	Calculated Property
Cp,gas	572.72	J/mol×K	676.89	Calculated Property
Cp,gas	605.07	J/mol×K	757.67	Calculated Property
Cp,gas	631.89	J/mol×K	838.44	Calculated Property
Cp,gas	653.68	J/mol×K	919.22	Calculated Property
Cp,gas	670.93	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to aceclofenac.

Mixtures

• 1-Octanol + aceclofenac
• n-Hexane + aceclofenac
• Methyl Alcohol + aceclofenac
• Ethanol + aceclofenac
• Acetone + aceclofenac
• Ethyl Acetate + aceclofenac
• 2-Propanol + aceclofenac
• Toluene + aceclofenac

Sources

• 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
• Thermodynamic study of aceclofenac solubility, distribution and sublimation
• Experimental Measurements and Modeling of the Solubility of Aceclofenac in Six Pure Solvents from (293.35 to 338.25) K
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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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