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 | 22.96 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 32.88 | 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 | 29.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 63.20 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.72 | J mol-1 K-1 |
| Rotational | 103.00 | J mol-1 K-1 |
| Vibrational | 20.33 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 288.05 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -784.28 | kJ mol-1 |
Molecular Orbitals
- 1 -2467.77 eV View
- 2 -695.49 eV View
- 3 -691.33 eV View
- 4 -691.33 eV View
- 5 -232.97 eV View
- 6 -168.63 eV View
- 7 -168.60 eV View
- 8 -168.50 eV View
- 9 -32.95 eV View
- 10 -29.61 eV View
- 11 -29.27 eV View
- 12 -14.73 eV View
- 13 -7.23 eV View
- 14 -7.07 eV View
- 15 -6.84 eV View
- 16 -4.64 eV View
- 17 -3.76 eV View
- 18 -2.64 eV View
- 19 -1.84 eV View
- 20 -1.75 eV View
- 21 0.88 eV View
- 22 1.90 eV View
- 23 19.13 eV View
- 24 20.92 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 | -1 | |
| Dipole | 0.00 | Debye |