ABSTRACT

Solubility of two isomers of cyanopyridine (CNP) in various solvents were determined by gravimetric method in the temperature range from 268.15 K to 318.15 K at atmospheric pressure. The experimental results show that the solubility of 3-cyanopyridine increased dramatically over 298.15 K, whereas 4-cyanopyridine was more stable at the same state. The modified Apelblat model, polynomial equation, the Buchowski-Ksiazczak eh equation and Wilson model were employed to correlate the experimental data. The Wilson model provides better agreement than the other models in terms of 3- and 4-cyanopyridine. Moreover, molecular simulation was also used to present the interaction between 3-CNP, 4-CNP and the solvent molecules, which can give an explanation for the solubility behavior in solvents.

Compounds

#	Formula	Name
1	C2H6O	ethanol
2	CH4O	methanol
3	C4H10O	butan-1-ol
4	C4H10O	2-methyl-1-propanol
5	C4H8O2	ethyl acetate
6	C3H6O	acetone
7	CCl4	tetrachloromethane
8	C3H8O	propan-1-ol
9	C6H4N2	3-cyanopyridine
10	C6H4N2	4-cyanopyridine

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	9	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	9	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	10	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	10	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	9 1	Mole fraction - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 9	gravimetric	7
POMD	9 2	Mole fraction - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 9	gravimetric	7
POMD	9 3	Mole fraction - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 9	gravimetric	7
POMD	9 4	Mole fraction - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 9	gravimetric	7
POMD	9 5	Mole fraction - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 9	gravimetric	7
POMD	9 6	Mole fraction - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 9	gravimetric	7
POMD	9 7	Mole fraction - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 9	gravimetric	7
POMD	9 8	Mole fraction - 9 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 9	gravimetric	7
POMD	10 1	Mole fraction - 10 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 10	gravimetric	7
POMD	10 2	Mole fraction - 10 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 10	gravimetric	7
POMD	10 3	Mole fraction - 10 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 10	gravimetric	7
POMD	10 4	Mole fraction - 10 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 10	gravimetric	7
POMD	10 5	Mole fraction - 10 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 10	gravimetric	7
POMD	10 6	Mole fraction - 10 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 10	gravimetric	7
POMD	10 7	Mole fraction - 10 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 10	gravimetric	7
POMD	10 8	Mole fraction - 10 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 10	gravimetric	7

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

Measurement and Correlation of Solubility of Two Isomers of Cyanopyridine in Eight Pure Solvents from 268.15 K to 318.15 K

Zhang, Rui, Feng, Zhengjie, Ji, Hongbing

ABSTRACT