ABSTRACT

The dilution enthalpies of four chiral diols, namely (2S,4S)-(+)-2,4-pentanediol vs (2R,4R)-(- )-2,4-pentanediol and (2S,5S)-(+)-2,5-hexanediol vs (2R,5R)-(-)-2,5-hexanediol in dimethylsulfoxide (DMSO) + water mixtures at 298.15 K have been determined respectively, using isothermal titration calorimeter (ITC). On the basis of the McMillan-Mayer theory, homochiral enthalpic pairwise interaction coefficients (hxx) of the four diols in the mixed solvents of various mass fractions (w = 0 to 0.3) have been calculated. It is found amazedly that across the whole studied composition range of mixed solvent values of hxx for S-enantiomer are almost higher than R-enantiomer for each diol. The results are discussed from the point of view of solute-solute interaction and solute-solvent interaction accompanied by chiral discrimination effect. The variations of hxx with w for the four chiral diols depend largely on the competition equilibrium between hydrophobic-hydrophobic, hydrophilichydrophilic and hydrophobic-hydrophilic interactions in ternary solution systems.

Compounds

#	Formula	Name
1	C5H12O2	(2S,4S)-pentane-2,4-diol
2	C6H14O2	(2S,5S)-2,5-hexanediol
3	C6H14O2	(2R,5R)-2,5-hexanediol
4	C5H12O2	(2R,4R)-2,4-pentanediol
5	C2H6OS	dimethyl sulfoxide
6	H2O	water

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	6 1	Molar enthalpy of dilution, kJ/mol ; Liquid	Initial molality of solute, mol/kg; Liquid Final molality of solute, mol/kg; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Isothermal Titration Calorimeter	19
POMD	6 4	Molar enthalpy of dilution, kJ/mol ; Liquid	Initial molality of solute, mol/kg; Liquid Final molality of solute, mol/kg; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Isothermal Titration Calorimeter	19
POMD	6 2	Molar enthalpy of dilution, kJ/mol ; Liquid	Initial molality of solute, mol/kg; Liquid Final molality of solute, mol/kg; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Isothermal Titration Calorimeter	19
POMD	6 3	Molar enthalpy of dilution, kJ/mol ; Liquid	Initial molality of solute, mol/kg; Liquid Final molality of solute, mol/kg; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	Isothermal Titration Calorimeter	19
POMD	5 6 4	Molar enthalpy of dilution, kJ/mol ; Liquid	Solvent: Mass fraction - 5; Liquid Initial molality of solute, mol/kg; Liquid Final molality of solute, mol/kg; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	isothermal titration calorimetry	133
POMD	5 6 1	Molar enthalpy of dilution, kJ/mol ; Liquid	Solvent: Mass fraction - 5; Liquid Initial molality of solute, mol/kg; Liquid Final molality of solute, mol/kg; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	isothermal titration calorimetry	133
POMD	5 6 3	Molar enthalpy of dilution, kJ/mol ; Liquid	Solvent: Mass fraction - 5; Liquid Initial molality of solute, mol/kg; Liquid Final molality of solute, mol/kg; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	isothermal titration calorimetry	133
POMD	5 6 2	Molar enthalpy of dilution, kJ/mol ; Liquid	Solvent: Mass fraction - 5; Liquid Initial molality of solute, mol/kg; Liquid Final molality of solute, mol/kg; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid	isothermal titration calorimetry	133

Thermodynamics Research Center / ThermoML | Thermochimica Acta

Enthalpic Pairwise Interactions of Isomers of 2,4-pentanediol and 2,5-hexanediol in Dimethylsulfoxide + Water Mixtures at 298.15 K

Guo, Z.[Zheng], Hu, X.[Xingen], Fang, G.[Guoyong], Shao, S.[Shuang], Guo, A.[Aidi], Liang, H.[Hongyu]

ABSTRACT