Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational640.14kJ mol-1
Total (Trans. + Rot. + Vib.)650.06kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational110.25J mol-1 K-1
Total (Trans. + Rot. + Vib.)143.51J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.03J mol-1 K-1
Rotational119.72J mol-1 K-1
Vibrational50.23J mol-1 K-1
Total (Trans. + Rot. + Vib.)339.98J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-76.46kJ mol-1

Molecular Orbitals


Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 275.33 cm-1 View
  • 2 293.35 cm-1 View
  • 3 316.99 cm-1 View
  • 4 378.98 cm-1 View
  • 5 478.81 cm-1 View
  • 6 490.64 cm-1 View
  • 7 491.63 cm-1 View
  • 8 523.67 cm-1 View
  • 9 610.52 cm-1 View
  • 10 666.04 cm-1 View
  • 11 702.38 cm-1 View
  • 12 823.02 cm-1 View
  • 13 827.12 cm-1 View
  • 14 881.51 cm-1 View
  • 15 908.13 cm-1 View
  • 16 935.30 cm-1 View
  • 17 940.22 cm-1 View
  • 18 951.04 cm-1 View
  • 19 971.13 cm-1 View
  • 20 978.79 cm-1 View
  • 21 982.46 cm-1 View
  • 22 983.91 cm-1 View
  • 23 1004.40 cm-1 View
  • 24 1017.43 cm-1 View
  • 25 1045.67 cm-1 View
  • 26 1049.36 cm-1 View
  • 27 1068.95 cm-1 View
  • 28 1080.22 cm-1 View
  • 29 1081.75 cm-1 View
  • 30 1089.52 cm-1 View
  • 31 1105.92 cm-1 View
  • 32 1111.83 cm-1 View
  • 33 1121.59 cm-1 View
  • 34 1136.71 cm-1 View
  • 35 1137.85 cm-1 View
  • 36 1142.38 cm-1 View
  • 37 1219.11 cm-1 View
  • 38 1225.33 cm-1 View
  • 39 1244.69 cm-1 View
  • 40 1256.18 cm-1 View
  • 41 1260.33 cm-1 View
  • 42 1286.62 cm-1 View
  • 43 1299.70 cm-1 View
  • 44 1304.72 cm-1 View
  • 45 1310.86 cm-1 View
  • 46 1315.35 cm-1 View
  • 47 1322.84 cm-1 View
  • 48 1325.55 cm-1 View
  • 49 1343.46 cm-1 View
  • 50 1354.64 cm-1 View
  • 51 1414.39 cm-1 View
  • 52 1416.29 cm-1 View
  • 53 1424.80 cm-1 View
  • 54 1429.42 cm-1 View
  • 55 1459.98 cm-1 View
  • 56 1465.58 cm-1 View
  • 57 2941.89 cm-1 View
  • 58 2943.02 cm-1 View
  • 59 2948.73 cm-1 View
  • 60 2951.78 cm-1 View
  • 61 2967.29 cm-1 View
  • 62 2967.49 cm-1 View
  • 63 2972.50 cm-1 View
  • 64 2972.86 cm-1 View
  • 65 2981.07 cm-1 View
  • 66 2981.29 cm-1 View
  • 67 3052.21 cm-1 View
  • 68 3052.29 cm-1 View
  • 69 3056.07 cm-1 View
  • 70 3056.58 cm-1 View
  • 71 3059.44 cm-1 View
  • 72 3060.08 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy19.57kJ mol-1
Polar Solvation Energy-0.81kJ mol-1
Nonpolar Solvation Energy20.40kJ mol-1
Surface Area107.44Å2
Charge of Molecule0
Dipole0.01Debye