Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational543.47kJ mol-1
Total (Trans. + Rot. + Vib.)553.39kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational133.68J mol-1 K-1
Total (Trans. + Rot. + Vib.)166.94J mol-1 K-1
Entropy
PropertyValueUnit
Translational169.93J mol-1 K-1
Rotational124.32J mol-1 K-1
Vibrational118.36J mol-1 K-1
Total (Trans. + Rot. + Vib.)412.61J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation41.14kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 39.01 cm-1 View
  • 2 59.83 cm-1 View
  • 3 104.51 cm-1 View
  • 4 179.78 cm-1 View
  • 5 230.80 cm-1 View
  • 6 245.03 cm-1 View
  • 7 331.61 cm-1 View
  • 8 359.09 cm-1 View
  • 9 370.83 cm-1 View
  • 10 402.12 cm-1 View
  • 11 484.68 cm-1 View
  • 12 493.99 cm-1 View
  • 13 602.59 cm-1 View
  • 14 629.38 cm-1 View
  • 15 659.89 cm-1 View
  • 16 773.68 cm-1 View
  • 17 848.40 cm-1 View
  • 18 875.85 cm-1 View
  • 19 899.54 cm-1 View
  • 20 933.80 cm-1 View
  • 21 946.53 cm-1 View
  • 22 963.45 cm-1 View
  • 23 977.12 cm-1 View
  • 24 1006.11 cm-1 View
  • 25 1015.34 cm-1 View
  • 26 1042.98 cm-1 View
  • 27 1056.39 cm-1 View
  • 28 1063.20 cm-1 View
  • 29 1102.21 cm-1 View
  • 30 1113.85 cm-1 View
  • 31 1119.89 cm-1 View
  • 32 1130.34 cm-1 View
  • 33 1153.26 cm-1 View
  • 34 1155.88 cm-1 View
  • 35 1186.02 cm-1 View
  • 36 1222.35 cm-1 View
  • 37 1240.37 cm-1 View
  • 38 1305.78 cm-1 View
  • 39 1313.92 cm-1 View
  • 40 1317.44 cm-1 View
  • 41 1381.60 cm-1 View
  • 42 1399.82 cm-1 View
  • 43 1407.97 cm-1 View
  • 44 1413.06 cm-1 View
  • 45 1416.57 cm-1 View
  • 46 1542.21 cm-1 View
  • 47 1605.85 cm-1 View
  • 48 1670.29 cm-1 View
  • 49 1781.57 cm-1 View
  • 50 1799.53 cm-1 View
  • 51 2848.53 cm-1 View
  • 52 2941.22 cm-1 View
  • 53 3016.58 cm-1 View
  • 54 3050.78 cm-1 View
  • 55 3051.72 cm-1 View
  • 56 3060.51 cm-1 View
  • 57 3067.91 cm-1 View
  • 58 3072.67 cm-1 View
  • 59 3079.79 cm-1 View
  • 60 3085.38 cm-1 View
  • 61 3176.38 cm-1 View
  • 62 3383.14 cm-1 View
  • 63 3517.60 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy11.85kJ mol-1
Polar Solvation Energy-12.39kJ mol-1
Nonpolar Solvation Energy24.24kJ mol-1
Surface Area127.16Å2
Charge of Molecule0
Dipole1.47Debye