1,2,4-dioxazolidine

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational203.81kJ mol-1
Total (Trans. + Rot. + Vib.)213.72kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational44.59J mol-1 K-1
Total (Trans. + Rot. + Vib.)77.84J mol-1 K-1
Entropy
PropertyValueUnit
Translational162.60J mol-1 K-1
Rotational103.51J mol-1 K-1
Vibrational39.07J mol-1 K-1
Total (Trans. + Rot. + Vib.)305.18J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-83.95kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 46.51 cm-1 View
  • 2 180.90 cm-1 View
  • 3 613.08 cm-1 View
  • 4 650.55 cm-1 View
  • 5 766.53 cm-1 View
  • 6 849.54 cm-1 View
  • 7 899.03 cm-1 View
  • 8 936.64 cm-1 View
  • 9 951.41 cm-1 View
  • 10 992.74 cm-1 View
  • 11 1053.50 cm-1 View
  • 12 1071.21 cm-1 View
  • 13 1107.51 cm-1 View
  • 14 1116.51 cm-1 View
  • 15 1271.48 cm-1 View
  • 16 1319.51 cm-1 View
  • 17 1351.32 cm-1 View
  • 18 1368.12 cm-1 View
  • 19 1371.90 cm-1 View
  • 20 2923.23 cm-1 View
  • 21 2924.90 cm-1 View
  • 22 2974.62 cm-1 View
  • 23 2977.79 cm-1 View
  • 24 3384.13 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-8.56kJ mol-1
Polar Solvation Energy-17.77kJ mol-1
Nonpolar Solvation Energy9.20kJ mol-1
Surface Area80.25Å2
Charge of Molecule0
Dipole2.27Debye