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 | 165.38 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 175.30 | 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 | 38.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 71.82 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 164.01 | J mol-1 K-1 |
| Rotational | 106.04 | J mol-1 K-1 |
| Vibrational | 27.47 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 297.51 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 482.94 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 154.20 cm-1 View
- 2 311.91 cm-1 View
- 3 380.15 cm-1 View
- 4 474.20 cm-1 View
- 5 643.34 cm-1 View
- 6 892.04 cm-1 View
- 7 1045.92 cm-1 View
- 8 1051.17 cm-1 View
- 9 1066.35 cm-1 View
- 10 1159.43 cm-1 View
- 11 1501.60 cm-1 View
- 12 1593.62 cm-1 View
- 13 1705.26 cm-1 View
- 14 1713.81 cm-1 View
- 15 2814.46 cm-1 View
- 16 3373.68 cm-1 View
- 17 3385.70 cm-1 View
- 18 3536.09 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 | 1 | |
| Dipole | 0.00 | Debye |