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 | 421.10 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 431.01 | 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 | 103.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 137.20 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.26 | J mol-1 K-1 |
| Rotational | 116.91 | J mol-1 K-1 |
| Vibrational | 81.75 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 365.92 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -40.62 | kJ mol-1 |
Molecular Orbitals
- 1 -2808.73 eV View
- 2 -423.95 eV View
- 3 -303.84 eV View
- 4 -302.96 eV View
- 5 -302.95 eV View
- 6 -300.41 eV View
- 7 -271.01 eV View
- 8 -201.35 eV View
- 9 -201.31 eV View
- 10 -201.30 eV View
- 11 -35.85 eV View
- 12 -27.07 eV View
- 13 -26.62 eV View
- 14 -25.87 eV View
- 15 -22.76 eV View
- 16 -20.83 eV View
- 17 -18.58 eV View
- 18 -18.47 eV View
- 19 -18.30 eV View
- 20 -16.32 eV View
- 21 -16.20 eV View
- 22 -14.94 eV View
- 23 -14.80 eV View
- 24 -14.63 eV View
- 25 -14.34 eV View
- 26 -13.86 eV View
- 27 -12.82 eV View
- 28 -4.49 eV View
- 29 -4.49 eV View
- 30 -3.97 eV View
- 31 12.09 eV View
- 32 12.92 eV View
- 33 12.95 eV View
- 34 14.04 eV View
- 35 16.36 eV View
- 36 16.45 eV View
- 37 17.09 eV View
- 38 17.84 eV View
- 39 17.96 eV View
- 40 18.13 eV View
- 41 18.19 eV View
- 42 18.80 eV View
- 43 19.11 eV View
- 44 19.59 eV View
- 45 19.69 eV View
- 46 21.05 eV 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 |