1,3,5-triazine-2,4,6-triamine

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational314.09kJ mol-1
Total (Trans. + Rot. + Vib.)324.01kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational106.79J mol-1 K-1
Total (Trans. + Rot. + Vib.)140.04J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.07J mol-1 K-1
Rotational120.99J mol-1 K-1
Vibrational74.02J mol-1 K-1
Total (Trans. + Rot. + Vib.)364.07J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation103.63kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 180.64 cm-1 View
  • 2 180.86 cm-1 View
  • 3 182.79 cm-1 View
  • 4 280.32 cm-1 View
  • 5 280.80 cm-1 View
  • 6 392.30 cm-1 View
  • 7 396.31 cm-1 View
  • 8 402.82 cm-1 View
  • 9 486.40 cm-1 View
  • 10 506.65 cm-1 View
  • 11 510.42 cm-1 View
  • 12 590.54 cm-1 View
  • 13 614.87 cm-1 View
  • 14 643.75 cm-1 View
  • 15 691.43 cm-1 View
  • 16 740.14 cm-1 View
  • 17 775.00 cm-1 View
  • 18 783.66 cm-1 View
  • 19 1024.66 cm-1 View
  • 20 1030.93 cm-1 View
  • 21 1067.78 cm-1 View
  • 22 1068.30 cm-1 View
  • 23 1158.86 cm-1 View
  • 24 1159.18 cm-1 View
  • 25 1262.30 cm-1 View
  • 26 1488.24 cm-1 View
  • 27 1488.58 cm-1 View
  • 28 1549.62 cm-1 View
  • 29 1648.98 cm-1 View
  • 30 1649.07 cm-1 View
  • 31 1672.22 cm-1 View
  • 32 1672.48 cm-1 View
  • 33 1681.73 cm-1 View
  • 34 3436.79 cm-1 View
  • 35 3437.75 cm-1 View
  • 36 3438.16 cm-1 View
  • 37 3535.39 cm-1 View
  • 38 3535.66 cm-1 View
  • 39 3535.85 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-24.93kJ mol-1
Polar Solvation Energy-41.65kJ mol-1
Nonpolar Solvation Energy16.68kJ mol-1
Surface Area124.60Å2
Charge of Molecule0
Dipole0.86Debye