Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Study and prediction of alkylbenzenes vapour pressures

Nesterov, I. A.[Igor A.], Nesterova, T. N.[Tatyana N.], Nazmutdinov, A. G.[Alyanus G.], Novozhenina, T. P.[Tatyana P.]
Fluid Phase Equilib. 2008, 269, 1-2, 36-47
ABSTRACT
Vapour pressures of 1,4-di-tert-butylbenzene (379 1647 Pa), 1,3,5-tri-tert-butylbenzene (203.9 241 Pa), 1-methyl-3,5-di-tert-butylbenzene (16.7 435.8 and 1318 103,880 Pa), and 1,2,2-trimethylpropybenzene (36.3 287.4 Pa) have been measured using a transpiration method and an ebuliometric method. Based on the literature and obtained by the authors experimental data a comparative study of prediction capabilities of the following methods has been carried out: Ambrose Walton's, Lee Kesler's, Riedel's and the modification of Riedel's method made by Vetere.
Compounds
# Formula Name
1 C14H22 1,4-bis(1,1-dimethylethyl)benzene
2 C18H30 1,3,5-tri-tert-butylbenzene
3 C15H24 3,5-di-tert-butyltoluene
4 C12H18 (1,2,2-trimethylpropyl)benzene
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
  • Transpiration method
  • 14
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 16
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 21
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:2
  • 85
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Transpiration method
  • 13