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 | 205.67 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 215.59 | 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 | 16.65 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 49.91 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 151.99 | J mol-1 K-1 |
| Rotational | 82.65 | J mol-1 K-1 |
| Vibrational | 9.71 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 244.35 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 640.97 | kJ mol-1 |
Molecular Orbitals
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 237.88 cm-1 View
- 2 933.46 cm-1 View
- 3 933.69 cm-1 View
- 4 1046.93 cm-1 View
- 5 1161.03 cm-1 View
- 6 1161.21 cm-1 View
- 7 1328.59 cm-1 View
- 8 1358.78 cm-1 View
- 9 1358.81 cm-1 View
- 10 1614.89 cm-1 View
- 11 1728.71 cm-1 View
- 12 1728.82 cm-1 View
- 13 3012.25 cm-1 View
- 14 3012.37 cm-1 View
- 15 3107.26 cm-1 View
- 16 3397.51 cm-1 View
- 17 3397.60 cm-1 View
- 18 3557.65 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -267.61 | kJ mol-1 |
| Polar Solvation Energy | -275.53 | kJ mol-1 |
| Nonpolar Solvation Energy | 7.94 | kJ mol-1 |
| Surface Area | 58.64 | Å2 |
| Charge of Molecule | 1 | |
| Dipole | 2.71 | Debye |