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

Volumetric Properties of Tripeptides with Polar Side-Chains: Partial Molar Volumes at (288.15 to 313.15) K and Partial Molar Expansions at 298.15 K of Some Peptides of Sequence Gly-X-Gly in Aqueous Solution

Parr, D. C.[Daniel C.], Hedwig, G. R.[Gavin R.], Hakin, A. W.[Andrew W.]
J. Chem. Eng. Data 2009, 54, 2, 606-612
ABSTRACT
Solution densities have been determined for aqueous solutions of the tripeptides of sequence glycyl-Xglycine, where X is one of the amino acids serine, threonine, asparagine, glutamine, cysteine, histidine, and tyrosine, at T ) (288.15, 303.15, and 313.15) K. These solution densities were used to calculate the partial molar volumes at infinite dilution, V 2 , for the tripeptides. The V 2 results were combined with those determined in previous work for T ) 298.15 K to obtain the partial molar isobaric expansions at infinite dilution, E 2 {E 2 ) ( YV 2 / YT)p}, for the tripeptides at T ) 298.15 K. The contribution of amino acid side-chain hydration to the E 2 results has been discussed.
Compounds
# Formula Name
1 H2O water
2 C7H13N3O5 glycyl-L-serylglycine
3 C8H15N3O5 glycyl-L-threonylglycine
4 C8H13N3O6 L-aspartoylbisglycine
5 C9H15N3O6 L-glutamoylbisglycine
6 C7H13N3O4S glycyl-L-cysteinylglycine
7 C10H15N5O4 glycyl-L-histidylglycine
8 C13H17N3O5 glycyl-L-tyrosylglycine
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
  • 2
  • 1
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 33
  • POMD
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 28
  • POMD
  • 1
  • 4
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 4; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 36
  • POMD
  • 1
  • 5
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 20
  • POMD
  • 1
  • 6
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 27
  • POMD
  • 1
  • 7
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 7; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 30
  • POMD
  • 8
  • 1
  • Mass density, kg/m3 ; Liquid
  • Molality, mol/kg - 8; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • VIBTUB:UFactor:6
  • 33