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 | 227.07 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 236.99 | 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 | 150.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 183.31 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 175.31 | J mol-1 K-1 |
| Rotational | 132.85 | J mol-1 K-1 |
| Vibrational | 195.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 503.31 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -1071.19 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 29.41 cm-1 View
- 2 37.20 cm-1 View
- 3 39.62 cm-1 View
- 4 60.86 cm-1 View
- 5 62.94 cm-1 View
- 6 97.79 cm-1 View
- 7 155.38 cm-1 View
- 8 206.96 cm-1 View
- 9 226.23 cm-1 View
- 10 293.90 cm-1 View
- 11 298.24 cm-1 View
- 12 316.01 cm-1 View
- 13 353.93 cm-1 View
- 14 369.34 cm-1 View
- 15 378.65 cm-1 View
- 16 412.70 cm-1 View
- 17 435.62 cm-1 View
- 18 440.70 cm-1 View
- 19 904.47 cm-1 View
- 20 914.24 cm-1 View
- 21 925.53 cm-1 View
- 22 927.65 cm-1 View
- 23 933.20 cm-1 View
- 24 982.70 cm-1 View
- 25 1041.69 cm-1 View
- 26 1050.00 cm-1 View
- 27 1136.51 cm-1 View
- 28 1136.77 cm-1 View
- 29 1138.81 cm-1 View
- 30 1255.08 cm-1 View
- 31 1269.94 cm-1 View
- 32 1290.54 cm-1 View
- 33 2759.07 cm-1 View
- 34 3861.26 cm-1 View
- 35 3862.57 cm-1 View
- 36 3864.01 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -20.29 | kJ mol-1 |
| Polar Solvation Energy | -46.57 | kJ mol-1 |
| Nonpolar Solvation Energy | 26.29 | kJ mol-1 |
| Surface Area | 169.80 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.49 | Debye |