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 | 441.19 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 451.10 | 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 | 91.14 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 124.39 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.02 | J mol-1 K-1 |
| Rotational | 112.61 | J mol-1 K-1 |
| Vibrational | 72.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 349.57 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -32.65 | kJ mol-1 |
Molecular Orbitals
- 1 -300.73 eV View
- 2 -300.44 eV View
- 3 -300.20 eV View
- 4 -300.18 eV View
- 5 -299.84 eV View
- 6 -299.38 eV View
- 7 -28.93 eV View
- 8 -26.55 eV View
- 9 -25.05 eV View
- 10 -23.04 eV View
- 11 -20.71 eV View
- 12 -18.74 eV View
- 13 -16.63 eV View
- 14 -16.32 eV View
- 15 -15.06 eV View
- 16 -14.79 eV View
- 17 -14.09 eV View
- 18 -13.29 eV View
- 19 -13.07 eV View
- 20 -12.37 eV View
- 21 -11.82 eV View
- 22 -11.34 eV View
- 23 -11.15 eV View
- 24 -8.25 eV View
- 25 8.89 eV View
- 26 15.71 eV View
- 27 16.16 eV View
- 28 16.52 eV View
- 29 17.62 eV View
- 30 18.35 eV View
- 31 18.75 eV View
- 32 19.09 eV View
- 33 19.40 eV View
- 34 19.81 eV View
- 35 20.29 eV View
- 36 20.86 eV View
- 37 21.29 eV View
- 38 21.69 eV View
- 39 21.79 eV View
- 40 23.18 eV View
- 41 25.84 eV View
- 42 28.43 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 17.28 | kJ mol-1 |
| Polar Solvation Energy | -1.81 | kJ mol-1 |
| Nonpolar Solvation Energy | 19.10 | kJ mol-1 |
| Surface Area | 97.46 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.33 | Debye |