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 | 418.91 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 428.83 | 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 | 85.38 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 118.64 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.44 | J mol-1 K-1 |
| Rotational | 107.34 | J mol-1 K-1 |
| Vibrational | 61.86 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 331.64 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 624.59 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 146.95 cm-1 View
- 2 207.09 cm-1 View
- 3 208.09 cm-1 View
- 4 208.92 cm-1 View
- 5 356.71 cm-1 View
- 6 357.01 cm-1 View
- 7 469.40 cm-1 View
- 8 469.53 cm-1 View
- 9 469.71 cm-1 View
- 10 855.97 cm-1 View
- 11 923.26 cm-1 View
- 12 923.35 cm-1 View
- 13 923.47 cm-1 View
- 14 969.33 cm-1 View
- 15 969.54 cm-1 View
- 16 969.63 cm-1 View
- 17 1021.42 cm-1 View
- 18 1021.51 cm-1 View
- 19 1238.05 cm-1 View
- 20 1238.07 cm-1 View
- 21 1238.15 cm-1 View
- 22 1336.27 cm-1 View
- 23 1339.71 cm-1 View
- 24 1339.78 cm-1 View
- 25 1339.81 cm-1 View
- 26 1353.39 cm-1 View
- 27 1353.46 cm-1 View
- 28 1353.54 cm-1 View
- 29 1361.65 cm-1 View
- 30 1361.76 cm-1 View
- 31 1373.02 cm-1 View
- 32 1373.09 cm-1 View
- 33 1373.16 cm-1 View
- 34 3029.42 cm-1 View
- 35 3029.58 cm-1 View
- 36 3029.99 cm-1 View
- 37 3032.36 cm-1 View
- 38 3032.65 cm-1 View
- 39 3032.72 cm-1 View
- 40 3033.65 cm-1 View
- 41 3033.79 cm-1 View
- 42 3112.14 cm-1 View
- 43 3112.46 cm-1 View
- 44 3112.92 cm-1 View
- 45 3114.11 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -184.29 | kJ mol-1 |
| Polar Solvation Energy | -198.17 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.88 | kJ mol-1 |
| Surface Area | 83.36 | Å2 |
| Charge of Molecule | 1 | |
| Dipole | 0.03 | Debye |