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

Solubility Determination and Modeling of p-Nitrobenzamide Dissolved in Twelve Neat Solvents from 283.15 to 328.15 K

Yuan, Yang, Zheng, Min, Zhao, Hongkun, Kong, Liming
J. Chem. Eng. Data 2019, 64, 4, 1840-1850
ABSTRACT
Through the shake-flask method, the solubility of p-nitrobenzamide in twelve pure solvents including n-propanol, ethanol, isopropanol, n-butanol, water, isobutanol, ethyl acetate, acetonitrile, dimethyl sulfoxide (DMSO), N,N-dimethylformamide (DMF), N-methyl-2-pyrrolidinone (NMP) and ethylene glycol (EG) was acquired over a temperature range from 283.15 K to 328.15 K at ambient pressure p = 101.2 kPa. The mole fractions of p-nitrobenzamide in equilibrium liquid phase increased as the temperature increased and had the following order in various solvents: DMSO > DMF > NMP > EG > ethyl acetate > ethanol > isopropanol > n-propanol > isobutanol > acetonitrile > n-butanol > water. They were fitted through the Wilson model, modified Apelblat equation, h equation and NRTL model. The maximum root-mean-square deviation value and relative average deviation value gained through the four models were, respectively, 56.69x10-4 and 6.55x10-2. The relative average deviation values achieved were smaller through the modified Apelblat equation than through the other equations for a given solvent. The mixing properties, infinitesimal concentration activity coefficient and reduced excess enthalpy were derived. Additionally, using the relationship analysis of Kamlet and Taft linear solvation energy of solvent effect, the degree and type of interactions of solute-solvent and solvent-solvent were recognized.
Compounds
# Formula Name
1 C7H6N2O3 p-nitrobenzamide
2 C2H6O ethanol
3 C3H8O propan-1-ol
4 C3H8O propan-2-ol
5 C4H10O butan-1-ol
6 C4H10O 2-methyl-1-propanol
7 H2O water
8 C4H8O2 ethyl acetate
9 C2H3N acetonitrile
10 C2H6OS dimethyl sulfoxide
11 C3H7NO dimethylformamide
12 C5H9NO N-methylpyrrolidone
13 C2H6O2 1,2-ethanediol
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
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 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
  • Chromatography
  • 10
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 5
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 9
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 10
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 8
  • POMD
  • 1
  • 11
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 12
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 13
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10