Molecule Viewer


Thermodynamics at 298.15 K and standard pressure


Enthalpy
PropertyValueUnit
Translational6.20kJ mol-1
Rotational3.72kJ mol-1
Vibrational507.18kJ mol-1
Total (Trans. + Rot. + Vib.)517.09kJ mol-1
Heat Capacity at Constant Pressure
PropertyValueUnit
Translational20.79J mol-1 K-1
Rotational12.47J mol-1 K-1
Vibrational129.16J mol-1 K-1
Total (Trans. + Rot. + Vib.)162.42J mol-1 K-1
Entropy
PropertyValueUnit
Translational170.38J mol-1 K-1
Rotational123.59J mol-1 K-1
Vibrational114.84J mol-1 K-1
Total (Trans. + Rot. + Vib.)408.82J mol-1 K-1
Other Properties
PropertyValueUnit
Heat of Formation-404.53kJ mol-1

Vibrational Frequencies


Vibration
Vectors
Balls
  • 1 57.10 cm-1 View
  • 2 72.92 cm-1 View
  • 3 106.32 cm-1 View
  • 4 148.24 cm-1 View
  • 5 186.58 cm-1 View
  • 6 251.86 cm-1 View
  • 7 293.62 cm-1 View
  • 8 316.87 cm-1 View
  • 9 407.76 cm-1 View
  • 10 449.97 cm-1 View
  • 11 503.31 cm-1 View
  • 12 546.86 cm-1 View
  • 13 589.65 cm-1 View
  • 14 628.71 cm-1 View
  • 15 694.68 cm-1 View
  • 16 812.82 cm-1 View
  • 17 870.01 cm-1 View
  • 18 881.00 cm-1 View
  • 19 915.15 cm-1 View
  • 20 953.72 cm-1 View
  • 21 973.63 cm-1 View
  • 22 994.68 cm-1 View
  • 23 1002.51 cm-1 View
  • 24 1013.88 cm-1 View
  • 25 1044.46 cm-1 View
  • 26 1068.06 cm-1 View
  • 27 1091.35 cm-1 View
  • 28 1128.51 cm-1 View
  • 29 1139.51 cm-1 View
  • 30 1144.27 cm-1 View
  • 31 1158.16 cm-1 View
  • 32 1168.27 cm-1 View
  • 33 1224.88 cm-1 View
  • 34 1264.54 cm-1 View
  • 35 1282.28 cm-1 View
  • 36 1320.09 cm-1 View
  • 37 1326.53 cm-1 View
  • 38 1356.76 cm-1 View
  • 39 1373.76 cm-1 View
  • 40 1379.13 cm-1 View
  • 41 1392.28 cm-1 View
  • 42 1395.58 cm-1 View
  • 43 1400.36 cm-1 View
  • 44 1403.85 cm-1 View
  • 45 1412.58 cm-1 View
  • 46 1415.26 cm-1 View
  • 47 1973.46 cm-1 View
  • 48 1983.69 cm-1 View
  • 49 2851.33 cm-1 View
  • 50 2952.63 cm-1 View
  • 51 2956.84 cm-1 View
  • 52 2962.86 cm-1 View
  • 53 2968.23 cm-1 View
  • 54 3032.63 cm-1 View
  • 55 3036.98 cm-1 View
  • 56 3040.69 cm-1 View
  • 57 3045.23 cm-1 View
  • 58 3077.00 cm-1 View
  • 59 3086.85 cm-1 View
  • 60 3175.79 cm-1 View

Aqueous Solvation Energy at 298.15 K


Surface
Dipole
Translucent Molecule
PropertyValueUnit
Total Solvation Energy2.06kJ mol-1
Polar Solvation Energy-25.42kJ mol-1
Nonpolar Solvation Energy27.50kJ mol-1
Surface Area122.23Å2
Charge of Molecule0
Dipole5.00Debye