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 | 177.11 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 187.03 | 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 | 59.08 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 92.34 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.91 | J mol-1 K-1 |
| Rotational | 112.88 | J mol-1 K-1 |
| Vibrational | 43.88 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 323.67 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -723.50 | kJ mol-1 |
Molecular Orbitals
- 1 -706.71 eV View
- 2 -553.50 eV View
- 3 -553.47 eV View
- 4 -551.72 eV View
- 5 -305.82 eV View
- 6 -305.25 eV View
- 7 -303.42 eV View
- 8 -42.20 eV View
- 9 -39.50 eV View
- 10 -36.09 eV View
- 11 -35.95 eV View
- 12 -26.98 eV View
- 13 -23.08 eV View
- 14 -20.89 eV View
- 15 -19.24 eV View
- 16 -17.96 eV View
- 17 -17.32 eV View
- 18 -16.15 eV View
- 19 -15.58 eV View
- 20 -14.87 eV View
- 21 -14.70 eV View
- 22 -13.22 eV View
- 23 -12.23 eV View
- 24 -11.84 eV View
- 25 -11.10 eV View
- 26 -9.95 eV View
- 27 -9.55 eV View
- 28 8.52 eV View
- 29 12.61 eV View
- 30 14.10 eV View
- 31 14.52 eV View
- 32 15.45 eV View
- 33 16.93 eV View
- 34 18.31 eV View
- 35 18.48 eV View
- 36 19.68 eV View
- 37 21.91 eV View
- 38 26.79 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 113.06 cm-1 View
- 2 156.25 cm-1 View
- 3 332.47 cm-1 View
- 4 436.93 cm-1 View
- 5 463.96 cm-1 View
- 6 612.72 cm-1 View
- 7 634.84 cm-1 View
- 8 758.52 cm-1 View
- 9 923.34 cm-1 View
- 10 936.89 cm-1 View
- 11 981.05 cm-1 View
- 12 988.83 cm-1 View
- 13 1045.78 cm-1 View
- 14 1067.44 cm-1 View
- 15 1107.85 cm-1 View
- 16 1235.82 cm-1 View
- 17 1272.18 cm-1 View
- 18 1366.11 cm-1 View
- 19 1391.65 cm-1 View
- 20 1530.79 cm-1 View
- 21 2046.76 cm-1 View
- 22 2889.54 cm-1 View
- 23 2993.92 cm-1 View
- 24 3031.87 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 |