Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational599.49kJ mol-1
Total (Trans. + Rot. + Vib.)609.40kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational107.55J mol-1 K-1
Total (Trans. + Rot. + Vib.)140.81J mol-1 K-1
Entropy
PropertyValueUnit
Translational167.61J mol-1 K-1
Rotational117.96J mol-1 K-1
Vibrational66.41J mol-1 K-1
Total (Trans. + Rot. + Vib.)351.98J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-143.20kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 95.03 cm-1 View
  • 2 216.40 cm-1 View
  • 3 252.20 cm-1 View
  • 4 337.85 cm-1 View
  • 5 345.89 cm-1 View
  • 6 375.15 cm-1 View
  • 7 430.80 cm-1 View
  • 8 484.42 cm-1 View
  • 9 546.07 cm-1 View
  • 10 591.21 cm-1 View
  • 11 794.50 cm-1 View
  • 12 810.04 cm-1 View
  • 13 837.70 cm-1 View
  • 14 862.88 cm-1 View
  • 15 889.40 cm-1 View
  • 16 893.39 cm-1 View
  • 17 920.33 cm-1 View
  • 18 987.95 cm-1 View
  • 19 1009.94 cm-1 View
  • 20 1013.38 cm-1 View
  • 21 1024.86 cm-1 View
  • 22 1038.53 cm-1 View
  • 23 1083.65 cm-1 View
  • 24 1091.48 cm-1 View
  • 25 1109.71 cm-1 View
  • 26 1116.75 cm-1 View
  • 27 1129.77 cm-1 View
  • 28 1140.98 cm-1 View
  • 29 1147.07 cm-1 View
  • 30 1163.91 cm-1 View
  • 31 1170.67 cm-1 View
  • 32 1173.40 cm-1 View
  • 33 1180.72 cm-1 View
  • 34 1190.61 cm-1 View
  • 35 1252.17 cm-1 View
  • 36 1278.35 cm-1 View
  • 37 1280.60 cm-1 View
  • 38 1333.40 cm-1 View
  • 39 1339.41 cm-1 View
  • 40 1371.02 cm-1 View
  • 41 1374.96 cm-1 View
  • 42 1388.95 cm-1 View
  • 43 1399.59 cm-1 View
  • 44 1405.01 cm-1 View
  • 45 1408.58 cm-1 View
  • 46 1410.26 cm-1 View
  • 47 1413.00 cm-1 View
  • 48 1415.25 cm-1 View
  • 49 1461.31 cm-1 View
  • 50 1510.77 cm-1 View
  • 51 2904.21 cm-1 View
  • 52 2925.88 cm-1 View
  • 53 2928.52 cm-1 View
  • 54 2929.27 cm-1 View
  • 55 2941.01 cm-1 View
  • 56 2947.55 cm-1 View
  • 57 2948.16 cm-1 View
  • 58 2950.61 cm-1 View
  • 59 3006.27 cm-1 View
  • 60 3016.72 cm-1 View
  • 61 3018.09 cm-1 View
  • 62 3022.74 cm-1 View
  • 63 3025.30 cm-1 View
  • 64 3027.11 cm-1 View
  • 65 3030.59 cm-1 View
  • 66 3031.23 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy20.18kJ mol-1
Polar Solvation Energy-0.73kJ mol-1
Nonpolar Solvation Energy20.94kJ mol-1
Surface Area106.81Å2
Charge of Molecule0
Dipole0.05Debye