Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational342.71kJ mol-1
Total (Trans. + Rot. + Vib.)352.63kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational184.79J mol-1 K-1
Total (Trans. + Rot. + Vib.)218.05J mol-1 K-1
Entropy
PropertyValueUnit
Translational174.18J mol-1 K-1
Rotational130.18J mol-1 K-1
Vibrational219.30J mol-1 K-1
Total (Trans. + Rot. + Vib.)523.66J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-1147.45kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 9.42 cm-1 View
  • 2 16.45 cm-1 View
  • 3 43.24 cm-1 View
  • 4 96.21 cm-1 View
  • 5 127.29 cm-1 View
  • 6 179.93 cm-1 View
  • 7 188.88 cm-1 View
  • 8 202.99 cm-1 View
  • 9 220.13 cm-1 View
  • 10 248.50 cm-1 View
  • 11 264.35 cm-1 View
  • 12 300.59 cm-1 View
  • 13 326.52 cm-1 View
  • 14 336.81 cm-1 View
  • 15 356.33 cm-1 View
  • 16 372.64 cm-1 View
  • 17 381.93 cm-1 View
  • 18 417.30 cm-1 View
  • 19 429.74 cm-1 View
  • 20 455.57 cm-1 View
  • 21 468.11 cm-1 View
  • 22 488.63 cm-1 View
  • 23 507.01 cm-1 View
  • 24 627.65 cm-1 View
  • 25 635.14 cm-1 View
  • 26 673.10 cm-1 View
  • 27 819.38 cm-1 View
  • 28 864.04 cm-1 View
  • 29 1124.69 cm-1 View
  • 30 1129.21 cm-1 View
  • 31 1208.15 cm-1 View
  • 32 1210.93 cm-1 View
  • 33 1244.55 cm-1 View
  • 34 1250.45 cm-1 View
  • 35 1317.31 cm-1 View
  • 36 1320.19 cm-1 View
  • 37 1420.22 cm-1 View
  • 38 1430.57 cm-1 View
  • 39 1537.58 cm-1 View
  • 40 1548.90 cm-1 View
  • 41 1605.93 cm-1 View
  • 42 1614.05 cm-1 View
  • 43 3804.29 cm-1 View
  • 44 3818.26 cm-1 View
  • 45 3845.16 cm-1 View
  • 46 3851.32 cm-1 View
  • 47 3896.78 cm-1 View
  • 48 3901.89 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy-15.81kJ mol-1
Polar Solvation Energy-35.01kJ mol-1
Nonpolar Solvation Energy19.19kJ mol-1
Surface Area155.94Å2
Charge of Molecule0
Dipole0.77Debye