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 | 246.91 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 256.83 | 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 | 39.29 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 72.55 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 161.01 | J mol-1 K-1 |
| Rotational | 102.48 | J mol-1 K-1 |
| Vibrational | 15.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 278.93 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 132.77 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 346.04 cm-1 View
- 2 479.15 cm-1 View
- 3 711.82 cm-1 View
- 4 794.11 cm-1 View
- 5 798.42 cm-1 View
- 6 825.18 cm-1 View
- 7 875.66 cm-1 View
- 8 961.64 cm-1 View
- 9 986.83 cm-1 View
- 10 1011.19 cm-1 View
- 11 1022.01 cm-1 View
- 12 1037.01 cm-1 View
- 13 1088.81 cm-1 View
- 14 1091.33 cm-1 View
- 15 1207.19 cm-1 View
- 16 1219.75 cm-1 View
- 17 1351.23 cm-1 View
- 18 1363.47 cm-1 View
- 19 1419.64 cm-1 View
- 20 1718.62 cm-1 View
- 21 1783.44 cm-1 View
- 22 2985.79 cm-1 View
- 23 3054.01 cm-1 View
- 24 3134.09 cm-1 View
- 25 3136.56 cm-1 View
- 26 3148.83 cm-1 View
- 27 3158.66 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 8.64 | kJ mol-1 |
| Polar Solvation Energy | -4.54 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.21 | kJ mol-1 |
| Surface Area | 77.39 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.73 | Debye |