Oxadiazepane

Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational393.50kJ mol-1
Total (Trans. + Rot. + Vib.)403.42kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational84.83J mol-1 K-1
Total (Trans. + Rot. + Vib.)118.09J mol-1 K-1
Entropy
PropertyValueUnit
Translational166.44J mol-1 K-1
Rotational113.79J mol-1 K-1
Vibrational57.78J mol-1 K-1
Total (Trans. + Rot. + Vib.)338.01J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation64.68kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 75.90 cm-1 View
  • 2 191.81 cm-1 View
  • 3 311.02 cm-1 View
  • 4 338.22 cm-1 View
  • 5 391.77 cm-1 View
  • 6 432.90 cm-1 View
  • 7 538.33 cm-1 View
  • 8 573.05 cm-1 View
  • 9 615.55 cm-1 View
  • 10 841.42 cm-1 View
  • 11 865.40 cm-1 View
  • 12 886.91 cm-1 View
  • 13 919.08 cm-1 View
  • 14 940.64 cm-1 View
  • 15 976.39 cm-1 View
  • 16 1012.38 cm-1 View
  • 17 1029.70 cm-1 View
  • 18 1056.36 cm-1 View
  • 19 1087.48 cm-1 View
  • 20 1096.81 cm-1 View
  • 21 1115.45 cm-1 View
  • 22 1139.53 cm-1 View
  • 23 1141.76 cm-1 View
  • 24 1156.01 cm-1 View
  • 25 1172.37 cm-1 View
  • 26 1268.07 cm-1 View
  • 27 1287.06 cm-1 View
  • 28 1312.69 cm-1 View
  • 29 1326.61 cm-1 View
  • 30 1347.49 cm-1 View
  • 31 1369.53 cm-1 View
  • 32 1376.58 cm-1 View
  • 33 1398.76 cm-1 View
  • 34 1408.46 cm-1 View
  • 35 1413.67 cm-1 View
  • 36 2908.88 cm-1 View
  • 37 2942.11 cm-1 View
  • 38 2952.13 cm-1 View
  • 39 2960.04 cm-1 View
  • 40 2996.44 cm-1 View
  • 41 3031.64 cm-1 View
  • 42 3035.89 cm-1 View
  • 43 3041.71 cm-1 View
  • 44 3374.44 cm-1 View
  • 45 3406.91 cm-1 View