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 | 62.42 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 72.34 | 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 | 28.64 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 61.90 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.00 | J mol-1 K-1 |
| Rotational | 105.28 | J mol-1 K-1 |
| Vibrational | 23.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 292.71 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -476.22 | kJ mol-1 |
Molecular Orbitals
- 1 -3590.51 eV View
- 2 -546.17 eV View
- 3 -546.16 eV View
- 4 -385.68 eV View
- 5 -306.91 eV View
- 6 -306.90 eV View
- 7 -306.89 eV View
- 8 -300.62 eV View
- 9 -45.79 eV View
- 10 -33.60 eV View
- 11 -29.96 eV View
- 12 -24.51 eV View
- 13 -24.44 eV View
- 14 -24.35 eV View
- 15 -17.92 eV View
- 16 -13.01 eV View
- 17 -11.09 eV View
- 18 -10.84 eV View
- 19 -6.57 eV View
- 20 -5.63 eV View
- 21 -4.83 eV View
- 22 4.66 eV View
- 23 9.20 eV View
- 24 10.28 eV View
- 25 11.66 eV View
- 26 14.33 eV View
- 27 20.49 eV View
- 28 27.27 eV View
- 29 27.79 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 |