ABSTRACT

The aqueous solubility of acetaminophen (ACP) in some choline chloride (ChCl) based deep eutectic solvents (DESs) with urea, oxalic acid and malonic acid as neoteric green solvents were measured up to 0.90 wt fraction of DESs at T = (293.15 to 318.15) K and at atmospheric pressure. The solubility in these solvents increased more than fortyefold with increasing the weight fraction of DESs, especially in DES containing malonic acid. The solubility data were accurately correlated by the NRTL, Wilson and UNIQUAC activity coefficient models. Also, to describe the thermodynamic behavior of ACP in the aqueous DES solutions, the thermodynamic functions, Gibbs energy, enthalpy, and entropy of dissolution and mixing were obtained by using the van't Hoff and Gibbs equations. The results indicate that the main contribution to the solubility of ACP in the aqueous DES solutions is enthalpic.

Compounds

#	Formula	Name
1	C8H9NO2	N-acetyl-p-aminophenol
2	C5H14ClNO	choline chloride
3	CH4N2O	urea
4	C2H2O4	ethanedioic acid
5	C3H4O4	propanedioic acid
6	H2O	water

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Constraint	Phase	Method	#Points
POMD	2 3	Mass density, kg/m3 ; Liquid	Mole fraction - 2; Liquid Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	2 3	Speed of sound, m/s ; Liquid	Mole fraction - 2; Liquid Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Anton Parr, DSA 5000 densimeter and speed of sound analyzer	1
POMD	2 3	Refractive index (Na D-line) ; Liquid	Mole fraction - 2; Liquid Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	2 5	Mass density, kg/m3 ; Liquid	Mole fraction - 2; Liquid Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	2 5	Speed of sound, m/s ; Liquid	Mole fraction - 2; Liquid Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Anton Parr, DSA 5000 densimeter and speed of sound analyzer	1
POMD	2 5	Refractive index (Na D-line) ; Liquid	Mole fraction - 2; Liquid Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	2 4	Mass density, kg/m3 ; Liquid	Mole fraction - 2; Liquid Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	2 4	Speed of sound, m/s ; Liquid	Mole fraction - 2; Liquid Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Anton Parr, DSA 5000 densimeter and speed of sound analyzer	1
POMD	2 4	Refractive index (Na D-line) ; Liquid	Mole fraction - 2; Liquid Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	1 6	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	UV-vis spectrometry	6

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Experimental determination and correlation of acetaminophen solubility in aqueous solutions of choline chloride based deep eutectic solvents at various temperatures

Shekaari, Hemayat, Zafarani-Moattar, Mohammed Taghi, Mokhtarpour, Masumeh

ABSTRACT