ABSTRACT

The anthracene solubility in methanol, ethanol, 1-propanol, and 2-propanol from (298.2 to 333.2 K) and also in binary solvent mixtures of 2-propanone + C1-C3 alcohols at 298.2 K was reported. The van t Hoff equation was used for correlation of the solubility data in monosolvents at different temperatures. The solubility of anthracene in mixed solvents was predicted using previously developed quantitative structure-property relationships (QSPR) that required knowledge of the solubility data in monosolvents. The overall mean percentage deviation of the correlated solubilities in monosolvents at different temperatures was 4.8 %. The corresponding value for solubility prediction methods in solvent mixtures varied from (8.5 to 11.9) %. Using ab initio prediction methods, the overall mean percentage deviations varied from (14.7 to 15.8) %.

Compounds

#	Formula	Name
1	C14H10	anthracene
2	CH4O	methanol
3	C2H6O	ethanol
4	C3H8O	propan-1-ol
5	C3H8O	propan-2-ol
6	C3H6O	acetone

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	1	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	VISOBS	1
POMD	2 1	Amount concentration (molarity), mol/dm3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	SPECTR	5
POMD	2 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	PYCNOM:UFactor:8	6
POMD	3 1	Amount concentration (molarity), mol/dm3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	SPECTR	5
POMD	3 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	PYCNOM:UFactor:8	6
POMD	4 1	Amount concentration (molarity), mol/dm3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	SPECTR	5
POMD	4 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	PYCNOM:UFactor:8	6
POMD	5 1	Amount concentration (molarity), mol/dm3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	SPECTR	5
POMD	5 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	PYCNOM:UFactor:8	6
POMD	6 1	Amount concentration (molarity), mol/dm3 ; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid		Liquid Crystal - 1	SPECTR	1
POMD	6 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 1	PYCNOM:UFactor:8	1
POMD	2 6 1	Amount concentration (molarity), mol/dm3 - 1 ; Liquid	Solvent: Mole fraction - 2; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid Crystal - 1	SPECTR	11
POMD	2 6 1	Mass density, kg/m3 ; Liquid	Solvent: Mole fraction - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 1	PYCNOM:UFactor:8	11
POMD	3 6 1	Amount concentration (molarity), mol/dm3 - 1 ; Liquid	Solvent: Mole fraction - 3; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid Crystal - 1	SPECTR	11
POMD	3 6 1	Mass density, kg/m3 ; Liquid	Solvent: Mole fraction - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 1	PYCNOM:UFactor:8	11
POMD	6 4 1	Amount concentration (molarity), mol/dm3 - 1 ; Liquid	Solvent: Mole fraction - 4; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid Crystal - 1	SPECTR	11
POMD	6 4 1	Mass density, kg/m3 ; Liquid	Solvent: Mole fraction - 4; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 1	PYCNOM:UFactor:8	11
POMD	5 6 1	Amount concentration (molarity), mol/dm3 - 1 ; Liquid	Solvent: Mole fraction - 5; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid Crystal - 1	SPECTR	11
POMD	5 6 1	Mass density, kg/m3 ; Liquid	Solvent: Mole fraction - 5; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid Crystal - 1	PYCNOM:UFactor:8	11

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Solubility of Anthracene in C1-C3 Alcohols from (298.2 to 333.2) K and Their Mixtures with 2-Propanone at 298.2 K

Jouyban, A.[Abolghasem], Manzoori, J. L.[Jamshid L.], Soleymani, J.[Jafar], Panahi-Azar, V.[Vahid], Fakhree, M. A. A.[Mohammad A. A.], Ahmadian, S.[Somaieh], Shayanfar, A.[Ali], Acree, Jr., W. E.[William E.]

ABSTRACT