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 | 232.54 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 242.45 | 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 | 45.88 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 79.14 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.14 | J mol-1 K-1 |
| Rotational | 110.09 | J mol-1 K-1 |
| Vibrational | 13.78 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 291.01 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 652.49 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 594.36 cm-1 View
- 2 594.41 cm-1 View
- 3 753.53 cm-1 View
- 4 753.54 cm-1 View
- 5 753.60 cm-1 View
- 6 895.79 cm-1 View
- 7 895.85 cm-1 View
- 8 895.86 cm-1 View
- 9 939.87 cm-1 View
- 10 939.89 cm-1 View
- 11 939.91 cm-1 View
- 12 1003.51 cm-1 View
- 13 1012.06 cm-1 View
- 14 1012.09 cm-1 View
- 15 1112.98 cm-1 View
- 16 1113.00 cm-1 View
- 17 1113.01 cm-1 View
- 18 1115.39 cm-1 View
- 19 1115.40 cm-1 View
- 20 1115.48 cm-1 View
- 21 1147.99 cm-1 View
- 22 1148.05 cm-1 View
- 23 1269.66 cm-1 View
- 24 1269.70 cm-1 View
- 25 1269.71 cm-1 View
- 26 1310.17 cm-1 View
- 27 3058.60 cm-1 View
- 28 3058.66 cm-1 View
- 29 3058.85 cm-1 View
- 30 3069.24 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -20.13 | kJ mol-1 |
| Polar Solvation Energy | -26.45 | kJ mol-1 |
| Nonpolar Solvation Energy | 6.31 | kJ mol-1 |
| Surface Area | 97.46 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.01 | Debye |