ABSTRACT

In this work, we report data on solubility of choline chloride and choline acetate in short-chain linear alcohols (ethanol, 1-propanol and 1-butanol) at various temperatures. Furthermore, we synthesize two choline derivatives: hydrogen choline chloride glutarate ([CholGlut][Cl]) and hydrogen choline chloride succinate ([CholSucc][Cl]). Their characterization and solubility in short-chain alcohols as a function of temperature are also included. Activity coefficients were calculated and their comparisons with ideal solutions were discussed. The experimental data were correlated successfully by means of the semiempirical Grant equation.

Compounds

#	Formula	Name
1	C5H14ClNO	choline chloride
2	C7H17NO3	choline acetate
3	C9H18ClNO4	hydrogen choline chloride succinate
4	C10H20ClNO4	hydrogen choline chloride glutarate
5	C2H6O	ethanol
6	C3H8O	propan-1-ol
7	C4H10O	butan-1-ol

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	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	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	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	5 1	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Gravimetric	12
POMD	1 6	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Gravimetric	10
POMD	1 7	Mole fraction - 1 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 1	Gravimetric	7
POMD	5 2	Mole fraction - 2 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 2	Gravimetric	11
POMD	6 2	Mole fraction - 2 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 2	Gravimetric	12
POMD	7 2	Mole fraction - 2 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 2	Gravimetric	10
POMD	4 5	Mole fraction - 4 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 4	Gravimetric	8
POMD	4 6	Mole fraction - 4 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 4	Gravimetric	8
POMD	4 7	Mole fraction - 4 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 4	Gravimetric	8
POMD	5 3	Mole fraction - 3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 3	Gravimetric	10
POMD	6 3	Mole fraction - 3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 3	Gravimetric	9
POMD	7 3	Mole fraction - 3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 3	Gravimetric	7

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Biocompatible choline based ionic salts: Solubility in short-chain alcohols

Lopes, J. M.[Joana M.], Paninho, A. B.[Ana B.], Molho, M. F.[Marta F.], Nunes, A. V. M.[Ana V.M.], Rocha, A.[Angelo], Lourenco, N. M. T.[Nuno M.T.], Najdanovic-Visak, V.[Vesna]

ABSTRACT