1,3,5-trioxane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational248.81kJ mol-1
Total (Trans. + Rot. + Vib.)258.72kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational56.92J mol-1 K-1
Total (Trans. + Rot. + Vib.)90.17J mol-1 K-1
Entropy
PropertyValueUnit
Translational164.87J mol-1 K-1
Rotational107.86J mol-1 K-1
Vibrational32.13J mol-1 K-1
Total (Trans. + Rot. + Vib.)304.86J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-511.70kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 232.11 cm-1 View
  • 2 232.39 cm-1 View
  • 3 372.22 cm-1 View
  • 4 499.23 cm-1 View
  • 5 499.25 cm-1 View
  • 6 650.22 cm-1 View
  • 7 929.84 cm-1 View
  • 8 930.07 cm-1 View
  • 9 937.68 cm-1 View
  • 10 937.68 cm-1 View
  • 11 957.79 cm-1 View
  • 12 1054.74 cm-1 View
  • 13 1074.01 cm-1 View
  • 14 1074.07 cm-1 View
  • 15 1079.04 cm-1 View
  • 16 1106.47 cm-1 View
  • 17 1143.75 cm-1 View
  • 18 1143.80 cm-1 View
  • 19 1238.25 cm-1 View
  • 20 1329.02 cm-1 View
  • 21 1329.04 cm-1 View
  • 22 1339.75 cm-1 View
  • 23 1360.16 cm-1 View
  • 24 1360.20 cm-1 View
  • 25 2887.18 cm-1 View
  • 26 2889.82 cm-1 View
  • 27 2889.93 cm-1 View
  • 28 3017.79 cm-1 View
  • 29 3017.80 cm-1 View
  • 30 3022.52 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-12.34kJ mol-1
Polar Solvation Energy-19.70kJ mol-1
Nonpolar Solvation Energy7.36kJ mol-1
Surface Area87.45Å2
Charge of Molecule0
Dipole2.82Debye