Thermodynamics Research Center, ThermoML : Journal of Chemical and Engineering Data

Thermodynamic Solubility and Mixing Properties of Phenformin in 14 Pure Solvents at Temperatures Ranging from 278.15 to 323.15 K

Zhao, X.[Xi], Han, G.[Gui], Zhao, H.[Hongkun]
J. Chem. Eng. Data 2019, 64, 12, 6009-6019
ABSTRACT
The equilibrium solubility of phenformin in 14 solvents of N,N-dimethylformamide (DMF), N-methyl-2-pyrrolidinone (NMP), dimethyl sulfoxide (DMSO), methanol, isopropanol, ethanol, n-propanol, 1,4-dioxane, n-butanol, isobutanol, acetonitrile, ethyl acetate, ethylene glycol (EG), and water was gained using the saturation shake-flask method over a temperature range of 278.15 to 323.15 K under pressure p = 101.2 kPa. The mole fraction solubility of phenformin in the above neat solvents increased as the temperature increased and had a variation trend in the different solvents: DMF greater than DMSO greater than NMP greater than EG greater than methanol greater than ethanol greater than ethyl acetate greater than n-propanol greater than isopropanol greater than n-butanol greater than isobutanol greater than water greater than acetonitrile greater than 1,4-dioxane. It was correlated using the nonrandom two-liquid model, modified Apelblat equation, h equation, and the Wilson model. The obtained values of maximum root-mean-square deviation and relative average deviation gained via the four models were, respectively, 29.14 * 10 4 and 4.46 * 10 2. Also, the reduced excess enthalpy, activity coefficient under infinitesimal concentration, and mixing properties were derived based on the determined solubility data.
Compounds
# Formula Name
1 C10H15N5 N-(2-phenylethyl)imidodicarbonimidic diamide
2 CH4O methanol
3 C2H6O ethanol
4 C3H8O propan-1-ol
5 C3H8O propan-2-ol
6 C2H6O2 1,2-ethanediol
7 C4H8O2 ethyl acetate
8 C2H3N acetonitrile
9 C5H9NO N-methylpyrrolidone
10 C4H10O butan-1-ol
11 C3H7NO dimethylformamide
12 C4H10O 2-methyl-1-propanol
13 C2H6OS dimethyl sulfoxide
14 C4H8O2 1,4-dioxane
15 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
  • 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
  • 10
  • 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
  • 15
  • 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
  • 7
  • POMD
  • 1
  • 14
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Chromatography
  • 8