ABSTRACT

The partial molar volumes, V 2, and partial molar heat capacities, C p;2, at infinite dilution have been determined for the compounds N-acetylasparaginamide, N-acetylglutaminamide, N-acetyltyrosinamide, and N-acetyllysinamide monohydrochloride in aqueous solution at T = (288.15, 298.15, 313.15, and 328.15) K. These results, along with the literature data for the compound N-acetylglycinamide, have been used to calculate the amino acid side-chain contributions to the thermodynamic properties. These side-chain contributions are compared with those obtained using small peptides as side-chain model compounds.

Compounds

#	Formula	Name
1	C7H13N3O3	(S)-2-acetamidopentanediamide
2	C8H18ClN3O2	(S)-2-acetamido-6-aminohexanamide hydrochloride
3	C11H14N2O3	N-Acetyl-L-tyrosinamide
4	H2O	water
5	C6H11N3O3	(S)-2-acetamidosuccinamide

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	VISOBS	1
POMD	2	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	VISOBS	1
POMD	3	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	VISOBS	1
POMD	5	Normal melting temperature, K ; Crystal			Crystal Liquid Air at 1 atmosphere	VISOBS	1
POMD	4 5	Apparent molar heat capacity, J/K/mol ; Liquid	Temperature, K; Liquid Molality, mol/kg - 5; Liquid	Pressure, kPa; Liquid	Liquid	Flow calorimetry	42
POMD	4 5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 5; Liquid	Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:8	41
POMD	4 1	Apparent molar heat capacity, J/K/mol ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Flow calorimetry	33
POMD	4 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:8	33
POMD	4 2	Apparent molar heat capacity, J/K/mol ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid	Liquid	Flow calorimetry	34
POMD	4 2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:8	35
POMD	3 4	Apparent molar heat capacity, J/K/mol ; Liquid	Temperature, K; Liquid Molality, mol/kg - 3; Liquid	Pressure, kPa; Liquid	Liquid	Flow calorimetry	34
POMD	3 4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 3; Liquid	Pressure, kPa; Liquid	Liquid	VIBTUB:UFactor:8	37

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Partial molar columes and heat capacities of the N-acetyl amide derivatives of the amino acids asparagine, glutamine, tyrosine, and lysine monohydrochloride in aqueous solution at temperatures from T=288.15 K to T=328.15K

Liu, J. L.[Jin L.], Hakin, A. W.[Andrew W.], Hedwig, G. R.[Gavin R.]

ABSTRACT