ABSTRACT

The melting properties and the heat capacity of the solid state and the melt state 4 -bromomethyl-2- cyanobiphenyl (OTBNBr) were determined. The enthalpy, entropy and Gibbs free energy of fusion were also calculated. The solubility of OTBNBr in eight organic solvents was experimentally measured at temperatures from (283.15 to 323.15) K by using a static method. The reasons for the differences of the solubility of OTBNBr in various solvents are discussed by using the intermolecular interaction. Furthermore, the experimental solubility values were well correlated by the modified Apelblat equation, the kh equation, the Wilson model and the van t Hoff equation. Finally, the temperature dependence of the activity coefficient and the van t Hoff enthalpy in the tested solutions was investigated and is discussed.

Compounds

#	Formula	Name
1	C14H10BrN	4'-(bromomethyl)-2-cyanobiphenyl
2	C3H6O	acetone
3	C4H8O2	ethyl acetate
4	C4H10O	butan-1-ol
5	C3H8O	propan-2-ol
6	C2H6O	ethanol
7	C3H6O2	methyl ethanoate
8	C6H12O2	butyl ethanoate
9	C3H7NO	dimethylformamide

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	Molar volume, m3/mol ; Crystal	Temperature, K; Crystal Pressure, kPa; Crystal		Crystal	Pycnometric method	1
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Crystal	Temperature, K; Crystal	Pressure, kPa; Crystal	Crystal	Small sample (50 mg) DSC	21
POMD	1	Molar heat capacity at constant pressure, J/K/mol ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Small sample (50 mg) DSC	16
POMD	9 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Gravimetric Technique	9
POMD	2 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Gravimetric Technique	9
POMD	7 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Gravimetric Technique	9
POMD	3 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Gravimetric Technique	9
POMD	8 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Gravimetric Technique	9
POMD	6 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Gravimetric Technique	9
POMD	4 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Gravimetric Technique	9
POMD	5 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Gravimetric Technique	9

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Thermodynamics of 4'-bromomethyl-2-cyanobiphenyl in different solvents

Yang, J.[Jingxiang], Wu, H.[Hong], Wang, Y.[Yongli], Luan, Q.[Qinghua], Zhang, J.[Jie], Wang, G.[Guan], Hao, H.[Hongxun]

ABSTRACT