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 | 133.19 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 143.11 | 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 | 29.88 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 63.13 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.60 | J mol-1 K-1 |
| Rotational | 99.33 | J mol-1 K-1 |
| Vibrational | 26.95 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 285.89 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -500.09 | kJ mol-1 |
Molecular Orbitals
- 1 -537.76 eV View
- 2 -537.68 eV View
- 3 -293.95 eV View
- 4 -293.81 eV View
- 5 -26.67 eV View
- 6 -23.25 eV View
- 7 -19.08 eV View
- 8 -10.16 eV View
- 9 -8.93 eV View
- 10 -8.61 eV View
- 11 -6.03 eV View
- 12 -4.08 eV View
- 13 -3.87 eV View
- 14 0.84 eV View
- 15 1.15 eV View
- 16 2.42 eV View
- 17 18.08 eV View
- 18 24.31 eV View
- 19 25.26 eV View
- 20 25.45 eV View
- 21 26.01 eV View
- 22 34.11 eV View
- 23 36.64 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -302.48 | kJ mol-1 |
| Polar Solvation Energy | -312.25 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.78 | kJ mol-1 |
| Surface Area | 76.89 | Å2 |
| Charge of Molecule | -1 | |
| Dipole | 4.88 | Debye |