ABSTRACT

In this paper, the solubility of selected arylamine molecules in methanol, hexane, and benzene has been investigated. Solubility of mmmTTA in hexane and benzene is the highest while mTTA has the lowest solubility in benzene and hexane. The UNIFAC and the UNIQUAC binary adjustable parameters have been determined. On the basis of these parameters, the solubility of these molecules has been predicted and compared with the experimental data. The effect of meta or para substitutions in arylamine molecules on their solubility in organic solvents was experimentally determined and theoretically established. The adjustable parameters of the UNIFAC equation obtained in this study will help estimate the solubility of macromolecules with the same constitutional groups or estimate the solubility of mixture of arylamine molecules. Thermal properties such as specific heat, melting point, boiling point, and heat of vaporization of the selected arylamine molecules have been determined.

Compounds

#	Formula	Name
1	C21H21N	tri-tolylamine
2	C21H21N	3-methyl-N,N-bis(4-methylphenyl)benzenamine
3	C21H21N	3-methyl-N-(3-methylphenyl)-N-(4-methylphenyl)benzenamine
4	C21H21N	3-methyl-N,N-bis(3-methylphenyl)benzenamine
5	C6H14	hexane
6	CH4O	methanol
7	C6H6	benzene

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	DTA	1
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	1	Normal boiling temperature, K ; Liquid			Liquid Gas	not specified, probably DSC	1
POMD	1	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid		Liquid Gas	DSC	1
POMD	2	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	2	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	2	Normal boiling temperature, K ; Liquid			Liquid Gas	not specified, probably DSC	1
POMD	2	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid		Liquid Gas	DSC	1
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	7
POMD	2	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	12
POMD	3	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	3	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	3	Normal boiling temperature, K ; Liquid			Liquid Gas	not specified, probably DSC	1
POMD	3	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid		Liquid Gas	DSC	1
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	3
POMD	3	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	3
POMD	4	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	4	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	4	Normal boiling temperature, K ; Liquid			Liquid Gas	not specified, probably DSC	1
POMD	4	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid		Liquid Gas	DSC	1
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	14
POMD	4	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	10
POMD	5 2	Solid-liquid equilibrium temperature, K ; Liquid	Mass ratio of solute to solvent - 2; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 2	VISOBS	3
POMD	5 3	Solid-liquid equilibrium temperature, K ; Liquid	Mass ratio of solute to solvent - 3; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 3	VISOBS	5
POMD	5 4	Solid-liquid equilibrium temperature, K ; Liquid	Mass ratio of solute to solvent - 4; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 4	VISOBS	5
POMD	6 3	Solid-liquid equilibrium temperature, K ; Liquid	Mass ratio of solute to solvent - 3; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 3	VISOBS	5
POMD	7 2	Solid-liquid equilibrium temperature, K ; Liquid	Mass ratio of solute to solvent - 2; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 2	VISOBS	4
POMD	7 3	Solid-liquid equilibrium temperature, K ; Liquid	Mass ratio of solute to solvent - 3; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 3	VISOBS	5
POMD	7 4	Solid-liquid equilibrium temperature, K ; Liquid	Mass ratio of solute to solvent - 4; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 4	VISOBS	4

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

Measurement and Prediction of Solubility of Four Arylamine Molecules in Benzene, Hexane, and Methanol

Manifar, T.[Touraj], Rohani, S.[Sohrab]

ABSTRACT