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

Solubility and Solvent Effect of 1-(2-Bromo-phenyl)-pyrrole-2,5-dione in 14 Pure Solvents from 278.15 to 323.15 K

Li, Y.[Yanxun], Li, C.[Congcong], Gao, X.[Xiaoqiang], Lv, H.[Hekun]
J. Chem. Eng. Data 2019, 64, 10, 4501-4509
ABSTRACT
The solubilities of 1-(2-bromo-phenyl)-pyrrole-2,5-dione in fourteen pure solvents including isopropanol, methanol, isobutanol, ethanol, n-propanol, n-butanol, ethylene glycol (EG), cyclohexane, acetone, acetonitrile, N-methyl-2-pyrrolidinone (NMP), N,N-dimethyl formamide (DMF), water and dimethylsulfoxide (DMSO) were determined through the shake-flask method over the temperature range from 278.15 K to 323.15 K under 101.2 kPa. The values of mole fraction solubility of 1-(2-bromo-phenyl)-pyrrole-2,5-dione in above pure solvents increased as the temperature raised and presented the order in different pure solvents: DMF greater than NMP greater than DMSO greater than acetone greater than acetonitrile greater than methanol greater than ethanol greater than isopropanol greater than n-propanol greater than isobutanol greater than n-butanol greater than EG greater than cyclohexane greater than water. They were mathematically correlated by the NRTL model, h equation, Wilson model and Apelblat equation. The obtained values of the maximum root-mean-square deviation and relative average deviation were, respectively, 51.62x10-4 and 4.19x10-2. By the relationship examination of the Kamlet and Taft linear solvation energy of solvent effect, the type and degree of the solvent-solvent and solute-solvent interactions were identified. In addition, the mixing properties, reduced excess enthalpy and activity coefficient under infinitesimal concentrations were resulted in terms of the Wilson model.
Compounds
# Formula Name
1 C10H6BrNO2 1-(2-bromophenyl)-pyrrole-2,5-dione
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C3H8O propan-2-ol
6 C2H6O2 1,2-ethanediol
7 C3H6O acetone
8 C3H7NO dimethylformamide
9 C5H9NO N-methylpyrrolidone
10 C4H10O butan-1-ol
11 C2H3N acetonitrile
12 C4H10O 2-methyl-1-propanol
13 H2O water
14 C6H12 cyclohexane
15 C2H6OS dimethyl sulfoxide
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
  • 10
  • 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
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 11
  • 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
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10
  • POMD
  • 1
  • 15
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 7
  • POMD
  • 1
  • 9
  • 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
  • POMD
  • 1
  • 14
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 10