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

Solubility Determination and Thermodynamic Modeling of 2-Mercaptobenzimidazole in 12 Solvents from T = 278.15 K to T = 318.15 K

Xie, Y.[Yong], Li, D.[Dianmei], Wang, Y.[Yangyang], Yang, Z.[Ziyi], Zhang, D.[DeJin], Wang, H.[Hongyan]
J. Chem. Eng. Data 2019, 64, 8, 3385-3391
ABSTRACT
The solubility data of 2-mercaptobenzimidazole in different organic solvents including methanol, ethanol, isopropanol, n-propanol,1-butanol, toluene, cyclohexane, ethyl acetate, acetone, acetonitrile, 1,4-dioxane and 2-butanone were determined experimentally by the isothermal saturation method over a temperature range from T = 278.15 K to T = 318.15 K under P = 101.1 kPa. In the study temperature range, the data increased with increasing temperature, and obeyed the following order from high to low: 1,4-dioxane greater than acetone greater than 2-butanone greater than methanol greater than ethanol greater than n-propanol greater than 1-butanol greater than isopropanol greater than ethyl acetate greater than acetonitrile greater than toluene greater than cyclohexane. The determined solubility data of 2-mercaptobenzimidazole in these solvents were correlated by the modified Apelblat equation and Buchowski-Ksiazaczak h equation. The maximum values of root-mean-square deviation (RMSD) and relative average deviation (RAD) were 2.0510-4 (in
Compounds
# Formula Name
1 C7H6N2S 2-benzimidazolethiol
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C3H8O propan-2-ol
6 C4H8O2 ethyl acetate
7 C3H6O acetone
8 C2H3N acetonitrile
9 C7H8 toluene
10 C4H8O2 1,4-dioxane
11 C6H12 cyclohexane
12 C4H8O butanone
13 C4H10O butan-1-ol
14 C7H6O2 benzoic acid
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
  • Chromatography
  • 9
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 13
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 1
  • 12
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 9
  • POMD
  • 14
  • 9
  • Mole fraction - 14 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 14
  • Chromatography
  • 4