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 | 135.78 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 145.70 | 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 | 116.75 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 150.01 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.74 | J mol-1 K-1 |
| Rotational | 161.38 | J mol-1 K-1 |
| Vibrational | 368.68 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 699.79 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -256.98 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 6.34 cm-1 View
- 2 1.17 cm-1 View
- 3 0.38 cm-1 View
- 4 0.73 cm-1 View
- 5 11.10 cm-1 View
- 6 12.50 cm-1 View
- 7 13.34 cm-1 View
- 8 27.84 cm-1 View
- 9 48.29 cm-1 View
- 10 309.59 cm-1 View
- 11 385.71 cm-1 View
- 12 430.16 cm-1 View
- 13 458.16 cm-1 View
- 14 515.96 cm-1 View
- 15 688.60 cm-1 View
- 16 725.71 cm-1 View
- 17 925.82 cm-1 View
- 18 1065.80 cm-1 View
- 19 1110.07 cm-1 View
- 20 1274.18 cm-1 View
- 21 1665.22 cm-1 View
- 22 1732.94 cm-1 View
- 23 3371.17 cm-1 View
- 24 3510.10 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -1952.60 | kJ mol-1 |
| Polar Solvation Energy | -2038.51 | kJ mol-1 |
| Nonpolar Solvation Energy | 85.90 | kJ mol-1 |
| Surface Area | 183.55 | Å2 |
| Charge of Molecule | -4 | |
| Dipole | 31.01 | Debye |