Molecule Viewer
Thermodynamics at 298.15 K and standard pressure
| Enthalpy | ||
| Property | Value | Unit |
| Translational | 6.20 | kJ mol-1 |
| Rotational | 2.48 | kJ mol-1 |
| Vibrational | 39.79 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 48.47 | kJ mol-1 |
| Heat Capacity at Constant Pressure | ||
| Property | Value | Unit |
| Translational | 20.79 | J mol-1 K-1 |
| Rotational | 8.31 | J mol-1 K-1 |
| Vibrational | 25.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 55.04 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.38 | J mol-1 K-1 |
| Rotational | 55.69 | J mol-1 K-1 |
| Vibrational | 15.40 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 230.47 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 317.73 | kJ mol-1 |
Molecular Orbitals
- 1 -1850.04 eV View
- 2 -1850.04 eV View
- 3 -163.75 eV View
- 4 -163.59 eV View
- 5 -110.43 eV View
- 6 -109.93 eV View
- 7 -109.79 eV View
- 8 -109.79 eV View
- 9 -109.77 eV View
- 10 -109.77 eV View
- 11 -20.02 eV View
- 12 -15.70 eV View
- 13 -13.18 eV View
- 14 -8.09 eV View
- 15 -8.09 eV View
- 16 5.67 eV View
- 17 5.67 eV View
- 18 6.08 eV View
- 19 13.71 eV View
- 20 28.04 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
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 |