Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Efficient determination of crystallisation and melting points at low cooling and heating rates with novel computer controlled equipment

Wachter, P.[Phillipp], Schweiger, H.-G.[Hans-Georg], Wudy, F.[Franz], Gores, H. J.[Heiner J.]
J. Chem. Thermodyn. 2008, 40, 10, 1542-1547
ABSTRACT
We studied melting and solidification points of 14 pure solvents and two ionic liquids with a recently constructed automatic computer-controlled equipment, which is able to record simultaneously temperature time functions of up to 30 samples at very low heating and cooling rates down to 1.5 K h 1. The effects of viscosity of the studied samples and of carbon fibres as an added crystallisation aid were also investigated. Equilibrium temperatures for the solid liquid phase transition are in accordance with literature for materials that were often checked, such as acetonitrile, showing the quality of our new equipment, whereas the value of the transition temperature of some other materials differed from published results. It is shown that both the viscosity of the material and carbon fibres as crystallisation aids have an effect on supercooling. The value given for the equilibrium point of the ionic liquid trioctylmethylammonium trifluorocetate Ttr = (285.62 +- 0.1) K is new.
Compounds
# Formula Name
1 C2H3N acetonitrile
2 C4H6O2 .gamma.-butyrolactone
3 C5H10O3 diethyl carbonate
4 C4H10O2 1,2-dimethoxyethane
5 C3H6O3 dimethyl carbonate
6 C3H4O3 ethylene carbonate
7 C4H8O3 ethyl methyl carbonate
8 C5H10O2 ethyl propanoate
9 C4H8O2 1,4-dioxane
10 C2H6OS dimethyl sulfoxide
11 CH3NO2 nitromethane
12 C5H8O3 1,2-butylene carbonate
13 C7H11F3N2O3S 1-ethyl-3-methylimidazolium trifluoromethanesulfonate
14 C27H54F3NO2 methyltrioctylammonium trifluoroacetate
15 C4H7NO 3-methoxypropanenitrile
16 C2D6OS (methyl sulfoxide)-d6
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
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Heating/Cooling curves
  • 1
  • POMD
  • 2
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Heating/Cooling curves
  • 1
  • POMD
  • 3
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Heating/Cooling curves
  • 1
  • POMD
  • 4
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Heating/Cooling curves
  • 1
  • POMD
  • 5
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Heating/Cooling curves
  • 1
  • POMD
  • 6
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Heating/Cooling curves
  • 1
  • POMD
  • 7
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Heating/Cooling curves
  • 1
  • POMD
  • 8
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Heating/Cooling curves
  • 1
  • POMD
  • 9
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Heating/Cooling curves
  • 1
  • POMD
  • 10
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Heating/Cooling curves
  • 1
  • POMD
  • 11
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Heating/Cooling curves
  • 1
  • POMD
  • 12
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Heating/Cooling curves
  • 1
  • POMD
  • 13
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Heating/Cooling curves
  • 1
  • POMD
  • 14
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Heating/Cooling curves
  • 1
  • POMD
  • 15
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Heating/Cooling curves
  • 1
  • POMD
  • 16
  • Normal melting temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • Heating/Cooling curves
  • 1