Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 3.72 | kJ mol-1 |
| Vibrational | 361.83 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 371.75 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 12.47 | J mol-1 K-1 |
| Vibrational | 92.68 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 125.94 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.68 | J mol-1 K-1 |
| Rotational | 117.09 | J mol-1 K-1 |
| Vibrational | 102.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 386.38 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -431.22 | kJ mol-1 |
Molecular Orbitals
- 1 -705.20 eV View
- 2 -551.78 eV View
- 3 -302.71 eV View
- 4 -302.52 eV View
- 5 -301.02 eV View
- 6 -300.95 eV View
- 7 -300.53 eV View
- 8 -40.52 eV View
- 9 -36.26 eV View
- 10 -27.91 eV View
- 11 -26.95 eV View
- 12 -23.60 eV View
- 13 -21.76 eV View
- 14 -18.57 eV View
- 15 -17.40 eV View
- 16 -16.93 eV View
- 17 -16.25 eV View
- 18 -15.68 eV View
- 19 -14.57 eV View
- 20 -14.41 eV View
- 21 -14.02 eV View
- 22 -13.35 eV View
- 23 -12.77 eV View
- 24 -12.65 eV View
- 25 -11.07 eV View
- 26 -11.01 eV View
- 27 -10.84 eV View
- 28 -8.84 eV View
- 29 7.88 eV View
- 30 14.72 eV View
- 31 16.68 eV View
- 32 16.76 eV View
- 33 16.97 eV View
- 34 17.85 eV View
- 35 18.51 eV View
- 36 18.76 eV View
- 37 19.52 eV View
- 38 19.97 eV View
- 39 20.16 eV View
- 40 20.51 eV View
- 41 20.86 eV View
- 42 21.10 eV View
- 43 21.74 eV View
- 44 27.75 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 43.36 cm-1 View
- 2 46.11 cm-1 View
- 3 82.15 cm-1 View
- 4 160.90 cm-1 View
- 5 179.92 cm-1 View
- 6 301.31 cm-1 View
- 7 356.86 cm-1 View
- 8 455.08 cm-1 View
- 9 503.61 cm-1 View
- 10 647.41 cm-1 View
- 11 759.17 cm-1 View
- 12 844.53 cm-1 View
- 13 915.61 cm-1 View
- 14 960.22 cm-1 View
- 15 1033.99 cm-1 View
- 16 1052.82 cm-1 View
- 17 1074.35 cm-1 View
- 18 1083.90 cm-1 View
- 19 1112.96 cm-1 View
- 20 1121.98 cm-1 View
- 21 1142.34 cm-1 View
- 22 1149.71 cm-1 View
- 23 1159.44 cm-1 View
- 24 1303.78 cm-1 View
- 25 1347.88 cm-1 View
- 26 1365.45 cm-1 View
- 27 1376.65 cm-1 View
- 28 1388.38 cm-1 View
- 29 1400.90 cm-1 View
- 30 1410.23 cm-1 View
- 31 1426.34 cm-1 View
- 32 1522.18 cm-1 View
- 33 1976.38 cm-1 View
- 34 2949.75 cm-1 View
- 35 2955.63 cm-1 View
- 36 2975.11 cm-1 View
- 37 3020.71 cm-1 View
- 38 3028.89 cm-1 View
- 39 3038.24 cm-1 View
- 40 3084.64 cm-1 View
- 41 3086.58 cm-1 View
- 42 3183.93 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |