Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solubilities of six lithium salts in five non-aqueous solvents and in a few of their binary mixtures

Xin, Nan, Sun, Yanjun, He, Maogang, Radke, Clayton J., Prausnitz, John M.
Fluid Phase Equilib. 2018, 461, 1-7
ABSTRACT
Solubilities were measured from 25 to 45 C for six lithium salts (LiF, LiCl, LiBr, LiNO3, LiTFSI and LiPF6) in five pure noneaqueous solvents (ethanol, acetonitrile, dimethyl carbonate, dimethyl sulfoxide and propylene carbonate) and in a few of their binary mixtures (ethanol + DMSO, DMC + DMSO and DMC + PC). The experimental method uses a Varian inductively--coupled plasma--optical--emission spectrometer (ICP--OES). Solubilities increase with rising temperature. At a given temperature, LiNO3 shows the highest solubility in all solvents. Salt solubilities follow the order LiNO3 greater than LiTFSI greater than LiBr greater than LiCl greater than LiPF6 greater than LiF. The dissolving abilities of the solvents are in the order ethanol greater than DMSO greater than acetonitrile greater than PC greater than DMC. Coupled with the salt's melting temperature and enthalpy of fusion, liquid--phase activity coefficients for salts were obtained from the solubility data.
Compounds
# Formula Name
1 ClK potassium chloride
2 FLi lithium fluoride
3 ClLi lithium chloride
4 BrLi lithium bromide
5 LiNO3 lithium nitrate
6 C2F6LiNO4S2 lithium bis((trifluoromethyl)sulfonyl)amide
7 F6LiP lithium hexafluorophosphate
8 C2H3N acetonitrile
9 C3H6O3 dimethyl carbonate
10 C2H6OS dimethyl sulfoxide
11 C2H6O ethanol
12 C4H6O3 4-methyl-1,3-dioxolan-2-one
13 CH4O methanol
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
  • 13
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Static equilibrium method
  • 5
  • POMD
  • 4
  • 8
  • Mole fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Static equilibrium method
  • 5
  • POMD
  • 4
  • 11
  • Mole fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Static equilibrium method
  • 5
  • POMD
  • 4
  • 9
  • Mole fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Static equilibrium method
  • 5
  • POMD
  • 4
  • 10
  • Mole fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Static equilibrium method
  • 5
  • POMD
  • 4
  • 12
  • Mole fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Static equilibrium method
  • 5
  • POMD
  • 3
  • 8
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Static equilibrium method
  • 5
  • POMD
  • 3
  • 11
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Static equilibrium method
  • 5
  • POMD
  • 3
  • 9
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Static equilibrium method
  • 5
  • POMD
  • 3
  • 10
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Static equilibrium method
  • 5
  • POMD
  • 3
  • 12
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Static equilibrium method
  • 5
  • POMD
  • 2
  • 8
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Static equilibrium method
  • 5
  • POMD
  • 2
  • 9
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Static equilibrium method
  • 5
  • POMD
  • 2
  • 10
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Static equilibrium method
  • 5
  • POMD
  • 2
  • 12
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Static equilibrium method
  • 5
  • POMD
  • 5
  • 8
  • Mole fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • Static equilibrium method
  • 5
  • POMD
  • 5
  • 11
  • Mole fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • Static equilibrium method
  • 5
  • POMD
  • 5
  • 9
  • Mole fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • Static equilibrium method
  • 5
  • POMD
  • 5
  • 10
  • Mole fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • Static equilibrium method
  • 5
  • POMD
  • 5
  • 12
  • Mole fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • Static equilibrium method
  • 5
  • POMD
  • 7
  • 8
  • Mole fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • Static equilibrium method
  • 5
  • POMD
  • 7
  • 9
  • Mole fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • Static equilibrium method
  • 5
  • POMD
  • 7
  • 10
  • Mole fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • Static equilibrium method
  • 5
  • POMD
  • 7
  • 12
  • Mole fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • Static equilibrium method
  • 5
  • POMD
  • 6
  • 9
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • Static equilibrium method
  • 5
  • POMD
  • 6
  • 10
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • Static equilibrium method
  • 5
  • POMD
  • 6
  • 12
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • Static equilibrium method
  • 5
  • POMD
  • 4
  • 11
  • 10
  • Mole fraction - 4 ; Liquid
  • Solvent: Mole fraction - 11; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Static equilibrium method
  • 15
  • POMD
  • 4
  • 9
  • 10
  • Mole fraction - 4 ; Liquid
  • Solvent: Mole fraction - 9; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Static equilibrium method
  • 15
  • POMD
  • 3
  • 11
  • 10
  • Mole fraction - 3 ; Liquid
  • Solvent: Mole fraction - 11; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Static equilibrium method
  • 15
  • POMD
  • 3
  • 9
  • 10
  • Mole fraction - 3 ; Liquid
  • Solvent: Mole fraction - 9; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Static equilibrium method
  • 15
  • POMD
  • 3
  • 9
  • 12
  • Mole fraction - 3 ; Liquid
  • Solvent: Mole fraction - 9; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • Static equilibrium method
  • 15
  • POMD
  • 5
  • 11
  • 10
  • Mole fraction - 5 ; Liquid
  • Solvent: Mole fraction - 11; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • Static equilibrium method
  • 15