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 | 482.78 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 492.69 | 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 | 134.12 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 167.37 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.65 | J mol-1 K-1 |
| Rotational | 125.42 | J mol-1 K-1 |
| Vibrational | 147.79 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 442.86 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -565.92 | kJ mol-1 |
Molecular Orbitals
- 1 -551.96 eV View
- 2 -551.52 eV View
- 3 -551.04 eV View
- 4 -302.49 eV View
- 5 -302.14 eV View
- 6 -302.00 eV View
- 7 -301.95 eV View
- 8 -300.84 eV View
- 9 -300.83 eV View
- 10 -36.19 eV View
- 11 -35.94 eV View
- 12 -35.19 eV View
- 13 -28.16 eV View
- 14 -26.17 eV View
- 15 -24.04 eV View
- 16 -22.77 eV View
- 17 -20.66 eV View
- 18 -20.17 eV View
- 19 -17.14 eV View
- 20 -17.04 eV View
- 21 -16.82 eV View
- 22 -16.21 eV View
- 23 -15.99 eV View
- 24 -15.24 eV View
- 25 -14.58 eV View
- 26 -14.32 eV View
- 27 -13.88 eV View
- 28 -13.43 eV View
- 29 -12.98 eV View
- 30 -12.29 eV View
- 31 -11.16 eV View
- 32 -10.92 eV View
- 33 -10.75 eV View
- 34 -9.55 eV View
- 35 -9.28 eV View
- 36 -8.83 eV View
- 37 8.08 eV View
- 38 14.03 eV View
- 39 15.24 eV View
- 40 15.78 eV View
- 41 16.72 eV View
- 42 17.07 eV View
- 43 17.71 eV View
- 44 18.11 eV View
- 45 18.49 eV View
- 46 18.77 eV View
- 47 18.80 eV View
- 48 18.98 eV View
- 49 19.38 eV View
- 50 19.49 eV View
- 51 20.08 eV View
- 52 20.64 eV View
- 53 21.08 eV View
- 54 21.63 eV View
- 55 21.74 eV View
- 56 22.12 eV View
- 57 26.88 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -2.12 | kJ mol-1 |
| Polar Solvation Energy | -25.54 | kJ mol-1 |
| Nonpolar Solvation Energy | 23.41 | kJ mol-1 |
| Surface Area | 132.11 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.05 | Debye |