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

Solubility and Solution Thermodynamics of Betaine in Different Pure Solvents and Binary Mixtures

Wang, S.[Shui], Qin, L.[Liying], Zhou, Z.[Zhimao], Wang, J.[Jidong]
J. Chem. Eng. Data 2012, 57, 8, 2128-2135
ABSTRACT
The solubility of betaine in water, methanol, ethanol, n-propanol, 2-propanol, and n-butanol and also in methanol + ethanol and ethanol + water binary mixtures has been experimentally measured using a laser monitoring observation technique. The modified Apelblat equation was used to correlate the solubility of betaine in the studied pure solvents. The solubility of betaine in the binary solvent mixtures was correlated by a hybrid model based on the Jouyban Acree model and modified Apelblat equation. The associated P-values of terms for model were used to simplify the hybrid model, which reduced the number of the model parameters without affecting the values of mean percentage deviation (MPD) and R2. With these models the maximum MPD for studied solvents is 1.94. Thermodynamic functions including ?Hsoln0, ?Gsoln0, and ?Ssoln0 of solution of betaine were obtained from the modified van t Hoff equation. A comparison of the relative contributions by enthalpy (?H) and entropy (?TS) was made (with ?H greater than 0.6 and even up to 0.99 in methanol), which indicated that the main contributor to the positive standard molar Gibbs energy of solution of betaine was enthalpy in both pure solvents and mixtures.
Compounds
# Formula Name
1 C5H11NO2 (trimethylammonio)acetate
2 H2O water
3 C2H6O ethanol
4 CH4O methanol
5 C3H8O propan-2-ol
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
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Index of refraction calibration data
  • 10
  • POMD
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Index of refraction calibration data
  • 10
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Index of refraction calibration data
  • 10
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Index of refraction calibration data
  • 10
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Index of refraction calibration data
  • 10
  • POMD
  • 7
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Index of refraction calibration data
  • 10
  • POMD
  • 3
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Index of refraction calibration data
  • 100
  • POMD
  • 3
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Solvent: Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Laser Method
  • 110