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

Vapor-Liquid Equilibrium Studies for Systems Containing n-Butylisocyanate at Temperatures between 323.15 K and 371.15 K

Ahmad, S.[Suhel], Giesen, R.[Ralf], Lucas, K.[Klaus]
J. Chem. Eng. Data 2004, 49, 4, 826-831
ABSTRACT
Vapor-liquid equilibria for the binary systems n-butylisocyanate (1-isocynato-butane) + n-butanol, n-nonane + n-butanol, n-nonane + n-butylisocyanate, and N-butylcarbamicacidbutylester (urethane) + n-nonane and for the ternary systems N-butylcarbamicacidbutylester + n-butanol + n-nonane and n-butylisocyanate + n-butanol + N-butylcarbamicacidbutylester have been studied at (323.15, 338.15, 353.15, and 371.15) K. The measurements have been performed using a specially designed reactor and attenuated total reflection Fourier transform infrared based spectroscopic technique. The vapor pressure and the composition of the liquid phase have been measured simultaneously. The experimental results have been correlated using UNIQUAC and NRTL models, and the binary interaction parameters have been determined. By use of the binary interaction parameters, the VLE of ternary systems is predicted.
Compounds
# Formula Name
1 C4H10O butan-1-ol
2 C5H9NO butyl isocyanate
3 C3H7NO2 ethyl carbamate
4 C9H20 nonane
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 7
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:32
  • 7
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 6
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 4
  • POMD
  • 1
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 38
  • POMD
  • 3
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 28
  • POMD
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 28
  • POMD
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 20
  • POMD
  • 2
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 28