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 | 419.63 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 429.54 | 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 | 100.90 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 134.16 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.26 | J mol-1 K-1 |
| Rotational | 116.54 | J mol-1 K-1 |
| Vibrational | 71.66 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 355.46 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -49.37 | kJ mol-1 |
Molecular Orbitals
- 1 -2809.90 eV View
- 2 -423.64 eV View
- 3 -303.65 eV View
- 4 -303.14 eV View
- 5 -300.96 eV View
- 6 -300.95 eV View
- 7 -272.09 eV View
- 8 -202.42 eV View
- 9 -202.41 eV View
- 10 -202.38 eV View
- 11 -35.61 eV View
- 12 -26.94 eV View
- 13 -26.30 eV View
- 14 -25.56 eV View
- 15 -22.87 eV View
- 16 -21.34 eV View
- 17 -18.29 eV View
- 18 -18.26 eV View
- 19 -18.12 eV View
- 20 -16.17 eV View
- 21 -15.92 eV View
- 22 -14.84 eV View
- 23 -14.54 eV View
- 24 -14.05 eV View
- 25 -13.95 eV View
- 26 -13.64 eV View
- 27 -13.04 eV View
- 28 -5.26 eV View
- 29 -4.95 eV View
- 30 -4.57 eV View
- 31 12.38 eV View
- 32 13.07 eV View
- 33 13.85 eV View
- 34 13.92 eV View
- 35 16.57 eV View
- 36 16.68 eV View
- 37 17.31 eV View
- 38 17.98 eV View
- 39 18.01 eV View
- 40 18.67 eV View
- 41 18.94 eV View
- 42 19.06 eV View
- 43 19.37 eV View
- 44 19.62 eV View
- 45 20.22 eV View
- 46 21.08 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 |