(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
Vibrational445.93kJ mol-1
Total (Trans. + Rot. + Vib.)455.85kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational128.92J mol-1 K-1
Total (Trans. + Rot. + Vib.)162.18J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.56J mol-1 K-1
Rotational123.64J mol-1 K-1
Vibrational120.86J mol-1 K-1
Total (Trans. + Rot. + Vib.)415.05J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-351.95kJ mol-1

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-15.30kJ mol-1
Polar Solvation Energy-39.55kJ mol-1
Nonpolar Solvation Energy24.24kJ mol-1
Surface Area127.57Å2
Charge of Molecule0
Dipole4.34Debye