Standard Thermodynamic Functions of Tripeptides N-Formyl-l-methionyl-l-leucyl-l-phenylalaninol and N-Formyl-l-methionyl-l-leucyl-l-phenylalanine Methyl Ester
Markin, A. V.[Alexey V.], Markhasin, E.[Evgeny], Sologubov, S. S.[Semen S.], Smirnova, N. N.[Natalia N.], Griffin, R. G.[Robert G.]
The heat capacities of tripeptides N-formyl-l-methionyl-l-leucyl-l-phenylalaninol (N-f-MLF-OH) and N-formyl-l-methionyl-l-leucyl-l-phenylalanine methyl ester (N-f-MLF-OMe) were measured by precision adiabatic vacuum calorimetry over the temperature range from T = (6 to 350) K. The tripeptides were stable over this temperature range, and no phase change, transformation, association, or thermal decomposition was observed. The standard thermodynamic functions: molar heat capacity Cp,m, enthalpy H(T) H(0), entropy S(T), and Gibbs energy G(T) H(0) of peptides were calculated over the range from T = (0 to 350) K. The low-temperature (T = 50 K) heat capacities dependencies were analyzed using the Debye s and the multifractal theories. The standard entropies of formation of peptides at T = 298.15 K were calculated.
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 heat capacity at constant pressure, J/K/mol ; Crystal
Temperature, K; Crystal
Pressure, kPa; Crystal
Crystal
SMALLAD:UFactor:4
157
POMD
1
Molar heat capacity at constant pressure, J/K/mol ; Crystal
Temperature, K; Crystal
Pressure, kPa; Crystal
Crystal
SMALLAD:UFactor:4
39
POMD
1
Molar enthalpy, kJ/mol ; Crystal
Temperature, K; Crystal
Pressure, kPa; Crystal
Crystal
SMALLAD:UFactor:4
39
POMD
1
Molar entropy, J/K/mol ; Crystal
Temperature, K; Crystal
Pressure, kPa; Crystal
Crystal
SMALLAD:UFactor:4
39
POMD
2
Molar heat capacity at constant pressure, J/K/mol ; Crystal
Temperature, K; Crystal
Pressure, kPa; Crystal
Crystal
SMALLAD:UFactor:2
185
POMD
2
Molar heat capacity at constant pressure, J/K/mol ; Crystal