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 | 169.38 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 179.29 | 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 | 22.11 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 55.37 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 158.03 | J mol-1 K-1 |
| Rotational | 93.59 | J mol-1 K-1 |
| Vibrational | 5.97 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 257.59 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 586.53 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 838.03 cm-1 View
- 2 838.08 cm-1 View
- 3 873.90 cm-1 View
- 4 874.03 cm-1 View
- 5 874.06 cm-1 View
- 6 924.58 cm-1 View
- 7 924.61 cm-1 View
- 8 1010.54 cm-1 View
- 9 1010.62 cm-1 View
- 10 1010.68 cm-1 View
- 11 1304.79 cm-1 View
- 12 1304.81 cm-1 View
- 13 1304.85 cm-1 View
- 14 1794.59 cm-1 View
- 15 3289.17 cm-1 View
- 16 3289.59 cm-1 View
- 17 3289.71 cm-1 View
- 18 3317.92 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 1.38 | kJ mol-1 |
| Polar Solvation Energy | -5.21 | kJ mol-1 |
| Nonpolar Solvation Energy | 6.56 | kJ mol-1 |
| Surface Area | 74.66 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.01 | Debye |