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

Solubility of N-tert-Butylbenzothiazole-2-sulfenamide in Several Pure and Binary Solvents

Zhan, Ningxin, Zhang, Yang, Wang, Xue Zhong
J. Chem. Eng. Data 2019, 64, 3, 1051-1062
ABSTRACT
The solubility of N-tert-butylbenzothiazole-2-sulphenamide (TBBS) in six pure solvents (methanol, ethanol, toluene, 2-propanol, 1-butanol and tert-butylamine) and three binary solvents (methanol + water, ethanol + water and tert-butylamine + water) was measured in the temperature range between 273.2 K and 313.2 K using a gravimetric determination at pressure of 0.101 MPa. The initial mole fraction of methanol, ethanol or tert-butylamine in binary solvents was in the range from 0.4 to 1.0. The experimental data shows that the solubility of TBBS increases with the increasing temperature in both pure and binary solvents. The solubility of TBBS in the six pure solvents has the following sequence: x1, tert-butylamine greater than x1, toluene greater than x1, 1-butanol greater than x1, ethanol greater than x1, 2-propanol greater than x1, methanol. The experimental solubility data can be well correlated by four thermodynamic models: the modified Apelblat equation, h equation, CNIBS/R-K model and NRTL model. The solubility of TBBS in tert-butylamine at a high temperature range from 318.2 K to 343.2 K at pressure from 0.156 MPa to 0.213 MPa was also determined using an approach based on turbidity measurement.
Compounds
# Formula Name
1 C11H14N2S2 N-tert-butylbenzothiazole-2-sulphenamide
2 CH4O methanol
3 C2H6O ethanol
4 C7H8 toluene
5 C3H8O propan-2-ol
6 C4H10O butan-1-ol
7 C4H11N 2-methyl-2-propanamine
8 H2O water
9 C8H12N4 2,2'-dimethyl-2,2'-azodipropionitrile
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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 9
  • POMD
  • 1
  • 7
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 6
  • POMD
  • 1
  • 2
  • 8
  • Mole fraction - 1 ; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 63
  • POMD
  • 1
  • 3
  • 8
  • Mole fraction - 1 ; Liquid
  • Solvent: Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 63
  • POMD
  • 1
  • 7
  • 8
  • Mole fraction - 1 ; Liquid
  • Solvent: Mole fraction - 7; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • gravimetric
  • 63
  • POMD
  • 9
  • 3
  • Mole fraction - 9 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 9
  • gravimetric
  • 8