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

Liquid-Solid Phase Equilibria and Thermodynamic Modeling for Binary Organic Carbonates

Ding, M. S.[Michael S.]
J. Chem. Eng. Data 2004, 49, 2, 276-282
ABSTRACT
Temperature-composition values of liquid-solid equilibrium were measured calorimetrically and tabulated for 10 binary solutions of these 5 organic carbonates: ethylene carbonate, propylene carbonate, dimethyl carbonate, ethyl methyl carbonate, and diethyl carbonate. Further, heat capacity (Cp) and temperature (Tm) and enthalpy Hfus of fusion were measured for the five carbonates, with the Cp values fitted with polynomial functions. Based on these Tm and Hfus values and polynomial functions of Cp, the binary phase diagrams were fitted with thermodynamic nonideal solution models for an evaluation of the model parameters. The results of the evaluation were tabulated and discussed as an indication of the nature and strength of the molecular interactions between different carbonates. These interactions were shown to determine many of the important features of the binary phase diagrams.
Compounds
# Formula Name
1 C4H8O3 ethyl methyl carbonate
2 C3H4O3 ethylene carbonate
3 C3H6O3 dimethyl carbonate
4 C5H10O3 diethyl carbonate
5 C4H6O3 4-methyl-1,3-dioxolan-2-one
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
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA:UFactor:2
  • 1
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 104
  • POMD
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Small sample (50 mg) DSC
  • 25
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC:UFactor:2
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA:UFactor:2
  • 1
  • POMD
  • 2
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 34
  • POMD
  • 2
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Small sample (50 mg) DSC
  • 120
  • POMD
  • 3
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC:UFactor:2
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DTA:UFactor:2
  • 1
  • POMD
  • 3
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 40
  • POMD
  • 3
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 1
  • Temperature, K; Crystal 1
  • Pressure, kPa; Crystal 1
  • Crystal 1
  • Small sample (50 mg) DSC
  • 45
  • POMD
  • 3
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal 2
  • Temperature, K; Crystal 2
  • Pressure, kPa; Crystal 2
  • Crystal 2
  • Small sample (50 mg) DSC
  • 40
  • POMD
  • 4
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DSC:UFactor:2
  • 1
  • POMD
  • 4
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA:UFactor:2
  • 1
  • POMD
  • 4
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 119
  • POMD
  • 4
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Small sample (50 mg) DSC
  • 12
  • POMD
  • 5
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC:UFactor:2
  • 1
  • POMD
  • 5
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DTA:UFactor:2
  • 1
  • POMD
  • 5
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 140
  • POMD
  • 5
  • Molar heat capacity at constant pressure, J/K/mol ; Crystal
  • Temperature, K; Crystal
  • Pressure, kPa; Crystal
  • Crystal
  • Small sample (50 mg) DSC
  • 55
  • POMD
  • 2
  • 1
  • Eutectic temperature, K ; Crystal - 2
  • Crystal - 2
  • Crystal - 1
  • Liquid
  • Air at 1 atmosphere
  • DIROBS
  • 1
  • POMD
  • 2
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA:UFactor:4
  • 19
  • POMD
  • 5
  • 1
  • Eutectic temperature, K ; Crystal - 5
  • Crystal - 5
  • Crystal - 1
  • Liquid
  • Air at 1 atmosphere
  • DIROBS
  • 1
  • POMD
  • 5
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA:UFactor:4
  • 13
  • POMD
  • 3
  • 1
  • Eutectic temperature, K ; Crystal - 3
  • Crystal - 3
  • Crystal - 1
  • Liquid
  • Air at 1 atmosphere
  • DIROBS
  • 1
  • POMD
  • 3
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA:UFactor:4
  • 15
  • POMD
  • 3
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA:UFactor:4
  • 4
  • POMD
  • 4
  • 1
  • Eutectic temperature, K ; Crystal - 4
  • Crystal - 4
  • Crystal - 1
  • Liquid
  • Air at 1 atmosphere
  • DIROBS
  • 1
  • POMD
  • 4
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • DTA:UFactor:4
  • 13
  • POMD
  • 4
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA:UFactor:4
  • 11
  • POMD
  • 2
  • 3
  • Eutectic temperature, K ; Crystal - 2
  • Crystal - 2
  • Crystal 1 - 3
  • Liquid
  • Air at 1 atmosphere
  • DIROBS:Method:DIROBS
  • 1
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA:UFactor:4
  • 14
  • POMD
  • 2
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 3
  • DTA:UFactor:4
  • 11
  • POMD
  • 4
  • 3
  • Eutectic temperature, K ; Crystal - 4
  • Crystal - 4
  • Crystal 2 - 3
  • Liquid
  • Air at 1 atmosphere
  • DIROBS
  • 1
  • POMD
  • 4
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 3
  • DTA:UFactor:4
  • 15
  • POMD
  • 4
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA:UFactor:4
  • 3
  • POMD
  • 4
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 2 - 3
  • DTA:UFactor:4
  • 2
  • POMD
  • 5
  • 3
  • Eutectic temperature, K ; Crystal 2 - 3
  • Crystal 2 - 3
  • Crystal - 5
  • Liquid
  • Air at 1 atmosphere
  • DIROBS
  • 1
  • POMD
  • 5
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 3
  • DTA:UFactor:4
  • 16
  • POMD
  • 5
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 2 - 3
  • DTA:UFactor:4
  • 2
  • POMD
  • 2
  • 4
  • Eutectic temperature, K ; Crystal - 2
  • Crystal - 2
  • Crystal - 4
  • Liquid
  • Air at 1 atmosphere
  • DIROBS
  • 1
  • POMD
  • 2
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA:UFactor:4
  • 19
  • POMD
  • 2
  • 5
  • Eutectic temperature, K ; Crystal - 2
  • Crystal - 2
  • Crystal - 5
  • Liquid
  • Air at 1 atmosphere
  • DIROBS:Method:DIROBS
  • 1
  • POMD
  • 2
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 2
  • DTA:UFactor:4
  • 15
  • POMD
  • 4
  • 5
  • Eutectic temperature, K ; Crystal - 4
  • Crystal - 4
  • Crystal - 5
  • Liquid
  • Air at 1 atmosphere
  • DIROBS
  • 1
  • POMD
  • 4
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA:UFactor:4
  • 8