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

Solubility Measurement and Thermodynamic Model Correlation of 5-Nitrosalicylaldehyde in Different Solvents

Shao, D.[Danfeng], Yang, Z.[Zehui], Zhou, G.[Guoquan]
J. Chem. Eng. Data 2019, 64, 8, 3444-3449
ABSTRACT
The solubility data of 5-nitrosalicylaldehyde in methanol, ethanol, n-propanol, isopropanol, 1-butanol, acetonitrile, acetone, cyclohexanone, ethyl acetate, 1,4-dioxane, toluene and water were determined experimentally by using the isothermal dissolution equilibrium method within the temperature range from (273.15 to 313.15) K under pressure of 101.2 kPa. The results in mole fraction increased with a rise of temperature. At a certain temperature, these values decreased according to the following order: acetone greater than 1,4-dioxane greater than ethyl acetate greater than cyclohexanone greater than toluene greater than acetonitrile greater than methanol greater than ethanol greater than isopropanol greater than n-propanol greater than 1-butanol greater than water. Moreover, these solubility values were correlated by the modified Apelblat equation and Uh equation, The maximum values of root-mean-square deviation (RMSD) and relative average deviation (RAD) were 3.25 e10-4 and 6.12 %, respectively. In addition, the (KAT-LSER) model was applied to analyze the effect of the solute-solvent intermolecular interactions on the solubility in pure organic solvents.
Compounds
# Formula Name
1 C7H5NO4 2-hydroxy-5-nitrobenzaldehyde
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C3H8O propan-2-ol
6 C4H10O butan-1-ol
7 C3H6O acetone
8 C6H10O cyclohexanone
9 C7H8 toluene
10 C4H8O2 ethyl acetate
11 C2H3N acetonitrile
12 C4H8O2 1,4-dioxane
13 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
  • 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
  • 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
  • 6
  • 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
  • 7
  • 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
  • 10
  • 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
  • 6
  • POMD
  • 1
  • 9
  • 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