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

Study on the Solubilities of Mononitro-Substituted Products of Nitration of m-Toluic Acid in Several Solvents at Temperatures between 297.65 and 351.75 K

He, Xiaojun, Tan, Ze, Wang, Qinbo, Pei, Yinchuan
J. Chem. Eng. Data 2017, 62, 10, 3360-3367
ABSTRACT
Mono-nitro substituted products derived from the nitration of m-Toluic acid are 3-methyl-4-nitrobenzoic acid, 3-methyl-2-nitrobenzoic acid and 5-methyl-2-nitrobenzoic acid, which are all crucial intermediates of pesticides and medicines. The solubilities of 3-methyl-4-nitrobenzoic acid, 3-methyl-2-nitrobenzoic acid and 5-methyl-2-nitrobenzoic acid in water, methanol, ethanol, n-propanol, formic acid, acetic acid and propanoic acid were measured at different temperatures (297.65 to 351.75 K) and under atmospheric pressure, respectively. As expected, the same solute has different solubilities in different solvents, and the dissolved amounts of these three solutes are also diverse in the same solvent. Subsequently the experimental solubility data of three mono-nitro substituted products of m-Toluic acid nitration in several solvents were correlated with the modified Apelblat equation and the NRTL activity coefficient model, and the calculated values are in good agreement with experimental data in the temperature range studied.
Compounds
# Formula Name
1 C8H7NO4 3-methyl-4-nitrobenzoic acid
2 C8H7NO4 2-nitro-m-toluic acid
3 C8H7NO4 5-methyl-2-nitrobenzoic acid
4 CH4O methanol
5 C2H6O ethanol
6 C3H8O propan-1-ol
7 CH2O2 formic acid
8 C2H4O2 acetic acid
9 C3H6O2 propanoic acid
10 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
  • 10
  • Mass ratio of solute to solvent - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • visual method
  • 11
  • POMD
  • 3
  • 4
  • Mass ratio of solute to solvent - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • visual method
  • 8
  • POMD
  • 3
  • 5
  • Mass ratio of solute to solvent - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • visual method
  • 10
  • POMD
  • 3
  • 6
  • Mass ratio of solute to solvent - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • visual method
  • 11
  • POMD
  • 3
  • 7
  • Mass ratio of solute to solvent - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • visual method
  • 11
  • POMD
  • 3
  • 8
  • Mass ratio of solute to solvent - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • visual method
  • 10
  • POMD
  • 3
  • 9
  • Mass ratio of solute to solvent - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • visual method
  • 11
  • POMD
  • 2
  • 10
  • Mass ratio of solute to solvent - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • visual method
  • 10
  • POMD
  • 2
  • 4
  • Mass ratio of solute to solvent - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • visual method
  • 11
  • POMD
  • 2
  • 5
  • Mass ratio of solute to solvent - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • visual method
  • 12
  • POMD
  • 2
  • 6
  • Mass ratio of solute to solvent - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • visual method
  • 12
  • POMD
  • 2
  • 7
  • Mass ratio of solute to solvent - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • visual method
  • 11
  • POMD
  • 2
  • 8
  • Mass ratio of solute to solvent - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • visual method
  • 11
  • POMD
  • 2
  • 9
  • Mass ratio of solute to solvent - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • visual method
  • 11
  • POMD
  • 1
  • 10
  • Mass ratio of solute to solvent - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • visual method
  • 10
  • POMD
  • 1
  • 4
  • Mass ratio of solute to solvent - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • visual method
  • 11
  • POMD
  • 1
  • 5
  • Mass ratio of solute to solvent - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • visual method
  • 11
  • POMD
  • 1
  • 6
  • Mass ratio of solute to solvent - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • visual method
  • 11
  • POMD
  • 1
  • 7
  • Mass ratio of solute to solvent - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • visual method
  • 11
  • POMD
  • 1
  • 8
  • Mass ratio of solute to solvent - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • visual method
  • 11
  • POMD
  • 1
  • 9
  • Mass ratio of solute to solvent - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • visual method
  • 11