5-methyl-1h-pyrimidine-2,4-dione

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational310.92kJ mol-1
Total (Trans. + Rot. + Vib.)320.84kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational98.32J mol-1 K-1
Total (Trans. + Rot. + Vib.)131.58J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.07J mol-1 K-1
Rotational120.21J mol-1 K-1
Vibrational76.22J mol-1 K-1
Total (Trans. + Rot. + Vib.)365.50J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-315.97kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 100.42 cm-1 View
  • 2 113.03 cm-1 View
  • 3 191.38 cm-1 View
  • 4 300.66 cm-1 View
  • 5 304.78 cm-1 View
  • 6 346.75 cm-1 View
  • 7 390.82 cm-1 View
  • 8 427.90 cm-1 View
  • 9 498.99 cm-1 View
  • 10 552.10 cm-1 View
  • 11 589.01 cm-1 View
  • 12 699.68 cm-1 View
  • 13 753.82 cm-1 View
  • 14 767.60 cm-1 View
  • 15 820.87 cm-1 View
  • 16 890.13 cm-1 View
  • 17 901.17 cm-1 View
  • 18 959.30 cm-1 View
  • 19 996.84 cm-1 View
  • 20 1008.48 cm-1 View
  • 21 1127.36 cm-1 View
  • 22 1207.50 cm-1 View
  • 23 1264.84 cm-1 View
  • 24 1337.86 cm-1 View
  • 25 1360.04 cm-1 View
  • 26 1378.73 cm-1 View
  • 27 1385.52 cm-1 View
  • 28 1396.43 cm-1 View
  • 29 1431.16 cm-1 View
  • 30 1501.76 cm-1 View
  • 31 1821.64 cm-1 View
  • 32 1902.13 cm-1 View
  • 33 1942.61 cm-1 View
  • 34 3008.34 cm-1 View
  • 35 3068.16 cm-1 View
  • 36 3075.64 cm-1 View
  • 37 3165.75 cm-1 View
  • 38 3364.87 cm-1 View
  • 39 3390.29 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-29.13kJ mol-1
Polar Solvation Energy-38.39kJ mol-1
Nonpolar Solvation Energy9.24kJ mol-1
Surface Area115.12Å2
Charge of Molecule0
Dipole5.08Debye