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 | 3.26 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 11.94 | 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 | 6.00 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 35.10 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.38 | J mol-1 K-1 |
| Rotational | 64.31 | J mol-1 K-1 |
| Vibrational | 3.78 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 227.46 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -193.53 | kJ mol-1 |
Molecular Orbitals
- 1 -2813.84 eV View
- 2 -1087.30 eV View
- 3 -275.50 eV View
- 4 -205.85 eV View
- 5 -205.79 eV View
- 6 -205.79 eV View
- 7 -73.47 eV View
- 8 -36.62 eV View
- 9 -36.53 eV View
- 10 -36.53 eV View
- 11 -22.80 eV View
- 12 -7.37 eV View
- 13 -7.06 eV View
- 14 -7.06 eV View
- 15 3.40 eV View
- 16 8.41 eV View
- 17 8.41 eV View
- 18 13.43 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 | 0 | |
| Dipole | 0.00 | Debye |