Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Measurement of the solubility of the salt of 2- mercaptobenzothiazole with cyclohexylamine and tert-butylamine in various solvents at low temperatures: Models and thermodynamic parameters

Wongkaew, K.[Krirkratthawit], Fulajtarova, K.[Katarina], Hronec, M.[Milan], Mohdee, V.[Vanee], Pancharoen, U.[Ura], Noothong, K.[Kasidit]
Fluid Phase Equilib. 2017, 434, 141-151
ABSTRACT
The solubility data of the salt of 2-mercaptobenzothiazole with cyclohexylamine (2-MBT-CHA) and tertbutylamine (2-MBT-TBA) in solid-liquid equilibrium, in various alternative solvents, are indispensable for a preliminary industrial application aimed at producing sustainable and renewable materials. In this paper, the solubility behavior of 2-MBT-CHA and 2-MBT-TBA, in various solvents (1,4-dioxane, methyl isobutyl ketone (MIBK), toluene and water) at low temperatures ranging from 303.15 K to 348.15 K, has been studied. From the experimental data, it was found that the solubility of 2-MBT-CHA and 2-MBT-TBA increased when temperature increased. In addition, it was found that surface tension and polarity index were strongly dependent on the solubility of 2-MBT-CHA and 2-MBT-TBA. The solubility of 2-MBT-CHA and 2-MBT-TBA is in the following sequence, MIBK,4-dioxane, toluene and water. To conclude the experimental data, thermodynamic models such as the polynomial empirical, the Van't Hoff, modified Apelblat, the semi-empirical Buchowski-Ksiazczak, the Wilson and the UNIQUAC were investigated. The Wilson model proved to be the most suitable for predicting the solubility behavior of 2-MBT-CHA and 2- MBT-TBA with temperature. Thermodynamic parameters were also investigated. Hence, it was noted that the dissolution process of 2-MBT-CHA and 2-MBT-TBA in investigated solvents is endothermic and spontaneous. The solubility of 2-MBT-CHA and 2-MBT-TBA obtained in solvents in this experiment will provide essential support for 2-MBT-CHA and 2-MBT-TBA industrial design and further theoretical studies.
Compounds
# Formula Name
1 C13H18N2S2 2-mercaptobenzothiazole cyclohexylamine
2 C11H16N2S2 2-mercaptobenzothiazole tert-butylamine
3 C6H12O 4-methylpentan-2-one
4 C4H8O2 1,4-dioxane
5 C7H8 toluene
6 H2O water
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
  • 3
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 10
  • POMD
  • 4
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 10
  • POMD
  • 5
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 10
  • POMD
  • 6
  • 1
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 10
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Titration method
  • 10
  • POMD
  • 4
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Titration method
  • 10
  • POMD
  • 5
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Titration method
  • 10
  • POMD
  • 6
  • 2
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • Titration method
  • 10