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 | 196.46 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 206.38 | 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 | 17.73 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 50.99 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 151.18 | J mol-1 K-1 |
| Rotational | 82.87 | J mol-1 K-1 |
| Vibrational | 10.08 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 244.14 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -75.78 | kJ mol-1 |
Molecular Orbitals
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 235.73 cm-1 View
- 2 879.92 cm-1 View
- 3 879.95 cm-1 View
- 4 1120.40 cm-1 View
- 5 1120.43 cm-1 View
- 6 1138.30 cm-1 View
- 7 1359.68 cm-1 View
- 8 1408.41 cm-1 View
- 9 1408.51 cm-1 View
- 10 1413.77 cm-1 View
- 11 1413.89 cm-1 View
- 12 1444.51 cm-1 View
- 13 3075.85 cm-1 View
- 14 3075.96 cm-1 View
- 15 3089.10 cm-1 View
- 16 3089.20 cm-1 View
- 17 3184.35 cm-1 View
- 18 3185.97 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 8.07 | kJ mol-1 |
| Polar Solvation Energy | -0.31 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.36 | kJ mol-1 |
| Surface Area | 57.71 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |