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 | 302.11 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 312.02 | 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 | 33.93 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 67.19 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.82 | J mol-1 K-1 |
| Rotational | 101.20 | J mol-1 K-1 |
| Vibrational | 18.42 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 279.44 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 1789.47 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 12.12 cm-1 View
- 2 50.58 cm-1 View
- 3 271.07 cm-1 View
- 4 310.47 cm-1 View
- 5 512.65 cm-1 View
- 6 890.13 cm-1 View
- 7 893.49 cm-1 View
- 8 964.21 cm-1 View
- 9 1052.82 cm-1 View
- 10 1078.57 cm-1 View
- 11 1108.78 cm-1 View
- 12 1122.26 cm-1 View
- 13 1131.68 cm-1 View
- 14 1226.01 cm-1 View
- 15 1228.60 cm-1 View
- 16 1578.64 cm-1 View
- 17 1578.75 cm-1 View
- 18 1699.31 cm-1 View
- 19 1699.42 cm-1 View
- 20 1704.63 cm-1 View
- 21 1704.66 cm-1 View
- 22 1833.38 cm-1 View
- 23 2881.27 cm-1 View
- 24 2889.27 cm-1 View
- 25 3372.00 cm-1 View
- 26 3372.30 cm-1 View
- 27 3372.89 cm-1 View
- 28 3372.95 cm-1 View
- 29 3518.33 cm-1 View
- 30 3522.60 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -866.73 | kJ mol-1 |
| Polar Solvation Energy | -879.53 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.79 | kJ mol-1 |
| Surface Area | 80.87 | Å2 |
| Charge of Molecule | 2 | |
| Dipole | 0.00 | Debye |