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 | 169.77 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 179.69 | 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 | 89.92 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 123.18 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.40 | J mol-1 K-1 |
| Rotational | 121.51 | J mol-1 K-1 |
| Vibrational | 83.21 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 376.12 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -1288.76 | kJ mol-1 |
Molecular Orbitals
- 1 -706.98 eV View
- 2 -706.96 eV View
- 3 -706.90 eV View
- 4 -706.89 eV View
- 5 -706.60 eV View
- 6 -706.58 eV View
- 7 -307.29 eV View
- 8 -305.46 eV View
- 9 -304.05 eV View
- 10 -44.23 eV View
- 11 -42.92 eV View
- 12 -41.90 eV View
- 13 -41.34 eV View
- 14 -41.28 eV View
- 15 -40.77 eV View
- 16 -27.66 eV View
- 17 -23.69 eV View
- 18 -21.57 eV View
- 19 -19.53 eV View
- 20 -19.29 eV View
- 21 -18.60 eV View
- 22 -18.15 eV View
- 23 -17.47 eV View
- 24 -16.60 eV View
- 25 -15.95 eV View
- 26 -14.61 eV View
- 27 -14.38 eV View
- 28 -14.29 eV View
- 29 -13.96 eV View
- 30 -13.79 eV View
- 31 -13.39 eV View
- 32 -12.92 eV View
- 33 -12.91 eV View
- 34 -12.69 eV View
- 35 -12.53 eV View
- 36 -11.37 eV View
- 37 -10.39 eV View
- 38 12.79 eV View
- 39 13.15 eV View
- 40 13.97 eV View
- 41 15.75 eV View
- 42 16.18 eV View
- 43 17.67 eV View
- 44 18.03 eV View
- 45 18.18 eV View
- 46 18.60 eV View
- 47 19.73 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 51.67 cm-1 View
- 2 97.71 cm-1 View
- 3 182.69 cm-1 View
- 4 272.85 cm-1 View
- 5 308.13 cm-1 View
- 6 320.06 cm-1 View
- 7 348.68 cm-1 View
- 8 398.35 cm-1 View
- 9 489.26 cm-1 View
- 10 533.49 cm-1 View
- 11 561.78 cm-1 View
- 12 669.27 cm-1 View
- 13 764.74 cm-1 View
- 14 899.62 cm-1 View
- 15 978.88 cm-1 View
- 16 1025.32 cm-1 View
- 17 1077.64 cm-1 View
- 18 1110.76 cm-1 View
- 19 1202.19 cm-1 View
- 20 1381.68 cm-1 View
- 21 1452.99 cm-1 View
- 22 1523.56 cm-1 View
- 23 1552.96 cm-1 View
- 24 1582.72 cm-1 View
- 25 1586.48 cm-1 View
- 26 2843.96 cm-1 View
- 27 2907.02 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 |