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

Temperature Dependence of Air-Water Partitioning of N-Methylated (C1 and C2) Fatty Acid Amides

Bernauer, M.[Milan], Dohnal, V.[Vladimir]
J. Chem. Eng. Data 2008, 53, 11, 2622-2631
ABSTRACT
Air-water partitioning of lower N-methylated fatty acid amides (N-methylformamide, N-methylacetamide, N,N-dimethylformamide, and N,N-dimethylacetamide) was examined at several temperatures in the range from (333 to 373) K employing comparative ebulliometry, differential distillation, and the method of circulation still as suitable experimental techniques. Results are reported in the form of limiting (infinite dilution) relative volatility, limiting activity coefficient, Henry s law constant, and air-water partition coefficient. For each amide, the present air-water partitioning data and some other relevant VLE measurements from the literature were combined with existing calorimetric data on respective derivative thermal properties and correlated simultaneously by a suitable model equation. In the entire treatment, precautions were taken to minimize the effect of uncertain vapor pressures of pure amides at lower temperatures. Recommended thermodynamically consistent temperature dependences of the air-water partitioning characteristics were established allowing their reliable extrapolation to lower (ambient) temperatures where low volatility of aqueous amides hinders direct measurements. Furthermore, the performance of three predictive approaches, namely, the modified UNIFAC, the method of Cabani et al. (J. Solution Chem. 1981, 10, 563-595), and the LFER correlation of Abraham (Fluid Phase Equilib. 2007, 262, 97-110), to estimate the air-water partitioning of the amides was tested.
Compounds
# Formula Name
1 C2H5NO N-methylformamide
2 H2O water
3 C3H7NO N-methylacetamide
4 C3H7NO dimethylformamide
5 C4H9NO N,N-dimethylethanamide
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
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • comparative ebulliometry, circulation still, and differential distillation method
  • 4
  • POMD
  • 1
  • 2
  • Amount concentration (molarity), mol/dm3 - 1 ; Gas
  • Temperature, K; Gas
  • Amount concentration (molarity), mol/dm3 - 1; Liquid
  • Gas
  • Liquid
  • comparative ebulliometry, circulation still, and differential distillation method
  • 4
  • POMD
  • 1
  • 2
  • Henry's Law constant (mole fraction scale), kPa - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • comparative ebulliometry, circulation still, and differential distillation method
  • 4
  • POMD
  • 3
  • 2
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • comparative ebulliometry, circulation still, and differential distillation method
  • 3
  • POMD
  • 3
  • 2
  • Amount concentration (molarity), mol/dm3 - 3 ; Gas
  • Temperature, K; Gas
  • Amount concentration (molarity), mol/dm3 - 3; Liquid
  • Gas
  • Liquid
  • comparative ebulliometry, circulation still, and differential distillation method
  • 3
  • POMD
  • 3
  • 2
  • Henry's Law constant (mole fraction scale), kPa - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • comparative ebulliometry, circulation still, and differential distillation method
  • 3
  • POMD
  • 4
  • 2
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • comparative ebulliometry, circulation still, and differential distillation method
  • 9
  • POMD
  • 4
  • 2
  • Amount concentration (molarity), mol/dm3 - 4 ; Gas
  • Temperature, K; Gas
  • Amount concentration (molarity), mol/dm3 - 4; Liquid
  • Gas
  • Liquid
  • comparative ebulliometry, circulation still, and differential distillation method
  • 9
  • POMD
  • 4
  • 2
  • Henry's Law constant (mole fraction scale), kPa - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • comparative ebulliometry, circulation still, and differential distillation method
  • 9
  • POMD
  • 5
  • 2
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • comparative ebulliometry, circulation still, and differential distillation method
  • 10
  • POMD
  • 5
  • 2
  • Amount concentration (molarity), mol/dm3 - 5 ; Gas
  • Temperature, K; Gas
  • Amount concentration (molarity), mol/dm3 - 5; Liquid
  • Gas
  • Liquid
  • comparative ebulliometry, circulation still, and differential distillation method
  • 10
  • POMD
  • 5
  • 2
  • Henry's Law constant (mole fraction scale), kPa - 5 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • comparative ebulliometry, circulation still, and differential distillation method
  • 10