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

Measurement and Thermodynamic Modeling of the Solubility of Lamotrigine, Deferiprone, Cefixime Trihydrate, and Cephalexin Monohydrate in Different Pure Solvents from 283.1 to 323.1 K

Seyf, J. Y.[Jaber Yousefi], Haghtalab, A.[Ali]
J. Chem. Eng. Data 2016, 61, 6, 2170-2178
ABSTRACT
The solubility of lamotrigine, deferiprone, cefixime trihydrate, and cephalexin monohydrate (pharmaceutical solutes) were measured in water, methanol, acetonitrile, and ethyl acetate from 283.1 to 323.1 K at atmospheric pressure. Cephalexin monohydrate was unstable and decomposed in ethyl acetate (even at 283.1 K), acetonitrile (at 303.1 K), and methanol (at 313.1 K). The experimental solubility data were correlated using the local composition models such as Wilson, nonrandom two-liquid theory (NRTL), universal quasichemical (UNIQUAC), and segment-based UNIQUAC (UNIQUAC-SAC). Moreover, the two temperature-dependent Buchowski-Ksiazaczak h and modified Apelblat equations were applied to correlate the present data. The predicted solubility of the present studies using UNIQUAC-SAC model are compared with those have been given for the other solvents, so that one can conclude lamotrigine, deferiprone, cefixime trihydrate, and cephalexin monohydrate presented the highest solubility in acetic acid, acetic acid, formic acid, and acetic acid, respectively.
Compounds
# Formula Name
1 CH4O methanol
2 C2H3N acetonitrile
3 C4H8O2 ethyl acetate
4 C9H7Cl2N5 lamotrigine
5 C7H9NO2 1,2-dimethyl-3-hydroxypyridin-4-one
6 C16H15N5O7S2 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[(carboxymethoxy)imino]acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
7 C16H17N3O4S 7-[D-(-)-.alpha.-aminophenylacetamido]-3-methyl-3-cephem-4-carboxylic acid
8 C7H6O2 benzoic acid
9 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
  • 8
  • 9
  • Mass ratio of solute to solvent - 8 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 8
  • UV Spectroscopy
  • 6
  • POMD
  • 9
  • 4
  • Mole fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • UV Spectroscopy
  • 5
  • POMD
  • 1
  • 4
  • Mole fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • UV Spectroscopy
  • 5
  • POMD
  • 2
  • 4
  • Mole fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • UV Spectroscopy
  • 5
  • POMD
  • 3
  • 4
  • Mole fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • UV Spectroscopy
  • 5
  • POMD
  • 9
  • 5
  • Mole fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • UV Spectroscopy
  • 5
  • POMD
  • 1
  • 5
  • Mole fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • UV Spectroscopy
  • 5
  • POMD
  • 2
  • 5
  • Mole fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • UV Spectroscopy
  • 5
  • POMD
  • 3
  • 5
  • Mole fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • UV Spectroscopy
  • 5
  • POMD
  • 9
  • 6
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • UV Spectroscopy
  • 5
  • POMD
  • 1
  • 6
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • UV Spectroscopy
  • 5
  • POMD
  • 2
  • 6
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • UV Spectroscopy
  • 5
  • POMD
  • 3
  • 6
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • UV Spectroscopy
  • 5
  • POMD
  • 9
  • 7
  • Mole fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • UV Spectroscopy
  • 5
  • POMD
  • 1
  • 7
  • Mole fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • UV Spectroscopy
  • 5
  • POMD
  • 2
  • 7
  • Mole fraction - 7 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • UV Spectroscopy
  • 3