Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational553.55kJ mol-1
Total (Trans. + Rot. + Vib.)563.47kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational145.19J mol-1 K-1
Total (Trans. + Rot. + Vib.)178.45J mol-1 K-1
Entropy
PropertyValueUnit
Translational172.28J mol-1 K-1
Rotational124.85J mol-1 K-1
Vibrational120.74J mol-1 K-1
Total (Trans. + Rot. + Vib.)417.87J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation162.98kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 39.78 cm-1 View
  • 2 77.75 cm-1 View
  • 3 136.18 cm-1 View
  • 4 196.49 cm-1 View
  • 5 207.93 cm-1 View
  • 6 257.87 cm-1 View
  • 7 282.61 cm-1 View
  • 8 327.20 cm-1 View
  • 9 346.41 cm-1 View
  • 10 377.31 cm-1 View
  • 11 435.39 cm-1 View
  • 12 491.83 cm-1 View
  • 13 536.47 cm-1 View
  • 14 563.47 cm-1 View
  • 15 646.60 cm-1 View
  • 16 685.08 cm-1 View
  • 17 751.58 cm-1 View
  • 18 805.50 cm-1 View
  • 19 861.08 cm-1 View
  • 20 879.16 cm-1 View
  • 21 891.58 cm-1 View
  • 22 904.57 cm-1 View
  • 23 915.61 cm-1 View
  • 24 931.84 cm-1 View
  • 25 997.83 cm-1 View
  • 26 1014.96 cm-1 View
  • 27 1028.95 cm-1 View
  • 28 1038.64 cm-1 View
  • 29 1061.55 cm-1 View
  • 30 1074.72 cm-1 View
  • 31 1106.11 cm-1 View
  • 32 1114.61 cm-1 View
  • 33 1124.06 cm-1 View
  • 34 1131.53 cm-1 View
  • 35 1132.81 cm-1 View
  • 36 1144.17 cm-1 View
  • 37 1148.34 cm-1 View
  • 38 1199.21 cm-1 View
  • 39 1249.10 cm-1 View
  • 40 1273.46 cm-1 View
  • 41 1288.93 cm-1 View
  • 42 1311.08 cm-1 View
  • 43 1326.57 cm-1 View
  • 44 1336.39 cm-1 View
  • 45 1338.45 cm-1 View
  • 46 1351.96 cm-1 View
  • 47 1373.90 cm-1 View
  • 48 1380.30 cm-1 View
  • 49 1384.08 cm-1 View
  • 50 1396.02 cm-1 View
  • 51 1404.20 cm-1 View
  • 52 1411.63 cm-1 View
  • 53 2912.73 cm-1 View
  • 54 2919.69 cm-1 View
  • 55 2923.28 cm-1 View
  • 56 2943.94 cm-1 View
  • 57 2957.29 cm-1 View
  • 58 2961.30 cm-1 View
  • 59 2986.83 cm-1 View
  • 60 2994.86 cm-1 View
  • 61 2997.81 cm-1 View
  • 62 3011.92 cm-1 View
  • 63 3041.86 cm-1 View
  • 64 3042.91 cm-1 View
  • 65 3413.84 cm-1 View
  • 66 3427.75 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy13.18kJ mol-1
Polar Solvation Energy-19.99kJ mol-1
Nonpolar Solvation Energy33.19kJ mol-1
Surface Area131.55Å2
Charge of Molecule0
Dipole2.75Debye