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 | 193.66 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 203.57 | 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 | 41.66 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 74.91 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 160.62 | J mol-1 K-1 |
| Rotational | 100.92 | J mol-1 K-1 |
| Vibrational | 29.11 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 290.65 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -456.27 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 157.40 cm-1 View
- 2 271.40 cm-1 View
- 3 401.02 cm-1 View
- 4 466.35 cm-1 View
- 5 548.28 cm-1 View
- 6 959.25 cm-1 View
- 7 977.27 cm-1 View
- 8 1040.56 cm-1 View
- 9 1073.75 cm-1 View
- 10 1107.27 cm-1 View
- 11 1302.88 cm-1 View
- 12 1365.05 cm-1 View
- 13 1394.82 cm-1 View
- 14 1399.88 cm-1 View
- 15 1403.98 cm-1 View
- 16 1494.69 cm-1 View
- 17 2822.78 cm-1 View
- 18 3096.03 cm-1 View
- 19 3101.03 cm-1 View
- 20 3188.73 cm-1 View
- 21 3904.22 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |