(4s)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational445.81kJ mol-1
Total (Trans. + Rot. + Vib.)455.73kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational129.28J mol-1 K-1
Total (Trans. + Rot. + Vib.)162.54J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.56J mol-1 K-1
Rotational124.36J mol-1 K-1
Vibrational120.99J mol-1 K-1
Total (Trans. + Rot. + Vib.)415.91J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-359.02kJ mol-1

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-6.81kJ mol-1
Polar Solvation Energy-30.16kJ mol-1
Nonpolar Solvation Energy23.37kJ mol-1
Surface Area130.78Å2
Charge of Molecule0
Dipole2.25Debye