ABSTRACT

The solubility of berberine chloride in ethanol, 2-propanol, 1-butanol, 1-octanol, ethanol + 2-propanol, ethanol + 1-butanol, and ethanol + 1-octanol was measured. According to the molecular structure of berberine chloride, we defined a new group [C5H2N+] based on the existing parameter table of UNIFAC (Dortmund) and derived the group parameters. The experimental solubility data were well correlated by the UNIFAC model. These newly defined groups and parameters could be expected to allow the prediction of the solubility of other isoquinoline alkaloids.

Compounds

#	Formula	Name
1	C2H6O	ethanol
2	C3H8O	propan-2-ol
3	C4H10O	butan-1-ol
4	C8H18O	octan-1-ol
5	C20H18ClNO4	9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolinium chloride

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	5	Molar enthalpy of transition or fusion, kJ/mol ; Crystal			Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	5	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	DTA:FP	1
POMD	1 5	Mole fraction - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 5	Chromatography	4
POMD	2 5	Mole fraction - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 5	Chromatography	4
POMD	3 5	Mole fraction - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 5	Chromatography	4
POMD	4 5	Mole fraction - 5 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 5	Chromatography	4
POMD	1 2 5	Mole fraction - 5 ; Liquid	Solvent: Mole fraction - 1; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 5	Chromatography	16
POMD	1 3 5	Mole fraction - 5 ; Liquid	Solvent: Mole fraction - 1; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 5	Chromatography	12
POMD	1 4 5	Mole fraction - 5 ; Liquid	Solvent: Mole fraction - 1; Liquid Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 5	Chromatography	12

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

Solubility of Berberine Chloride in Various Solvents

Lu, Y.-C.[Yang-Cheng], Lin, Q.[Quan], Luo, G.-S.[Guang-Sheng], Dai, Y.-Y.[You-Yuan]

ABSTRACT