Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational549.75kJ mol-1
Total (Trans. + Rot. + Vib.)559.66kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational148.52J mol-1 K-1
Total (Trans. + Rot. + Vib.)181.78J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.46J mol-1 K-1
Rotational122.91J mol-1 K-1
Vibrational149.57J mol-1 K-1
Total (Trans. + Rot. + Vib.)441.94J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-245.04kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 36.37 cm-1 View
  • 2 56.68 cm-1 View
  • 3 112.84 cm-1 View
  • 4 132.60 cm-1 View
  • 5 153.02 cm-1 View
  • 6 195.13 cm-1 View
  • 7 199.47 cm-1 View
  • 8 226.34 cm-1 View
  • 9 240.02 cm-1 View
  • 10 300.80 cm-1 View
  • 11 323.26 cm-1 View
  • 12 348.42 cm-1 View
  • 13 411.50 cm-1 View
  • 14 459.24 cm-1 View
  • 15 507.92 cm-1 View
  • 16 528.85 cm-1 View
  • 17 664.81 cm-1 View
  • 18 750.99 cm-1 View
  • 19 866.07 cm-1 View
  • 20 925.98 cm-1 View
  • 21 959.53 cm-1 View
  • 22 972.17 cm-1 View
  • 23 977.99 cm-1 View
  • 24 987.67 cm-1 View
  • 25 1015.21 cm-1 View
  • 26 1039.83 cm-1 View
  • 27 1097.27 cm-1 View
  • 28 1102.46 cm-1 View
  • 29 1126.07 cm-1 View
  • 30 1132.26 cm-1 View
  • 31 1163.88 cm-1 View
  • 32 1174.41 cm-1 View
  • 33 1197.08 cm-1 View
  • 34 1232.49 cm-1 View
  • 35 1272.17 cm-1 View
  • 36 1313.37 cm-1 View
  • 37 1328.04 cm-1 View
  • 38 1356.85 cm-1 View
  • 39 1369.57 cm-1 View
  • 40 1382.09 cm-1 View
  • 41 1400.83 cm-1 View
  • 42 1405.39 cm-1 View
  • 43 1406.26 cm-1 View
  • 44 1410.62 cm-1 View
  • 45 1412.14 cm-1 View
  • 46 1421.26 cm-1 View
  • 47 1479.60 cm-1 View
  • 48 1661.12 cm-1 View
  • 49 1902.67 cm-1 View
  • 50 2833.16 cm-1 View
  • 51 2874.88 cm-1 View
  • 52 3041.93 cm-1 View
  • 53 3060.93 cm-1 View
  • 54 3073.65 cm-1 View
  • 55 3077.04 cm-1 View
  • 56 3078.41 cm-1 View
  • 57 3082.61 cm-1 View
  • 58 3131.89 cm-1 View
  • 59 3176.78 cm-1 View
  • 60 3178.75 cm-1 View
  • 61 3379.37 cm-1 View
  • 62 3387.12 cm-1 View
  • 63 3511.36 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy2.50kJ mol-1
Polar Solvation Energy-23.81kJ mol-1
Nonpolar Solvation Energy26.29kJ mol-1
Surface Area131.98Å2
Charge of Molecule0
Dipole3.50Debye