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 | 418.89 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 428.80 | 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 | 85.39 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 118.65 | 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 | 61.90 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 331.67 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 624.59 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 146.76 cm-1 View
- 2 207.88 cm-1 View
- 3 207.88 cm-1 View
- 4 207.88 cm-1 View
- 5 356.78 cm-1 View
- 6 356.78 cm-1 View
- 7 469.45 cm-1 View
- 8 469.48 cm-1 View
- 9 469.48 cm-1 View
- 10 856.24 cm-1 View
- 11 923.24 cm-1 View
- 12 923.27 cm-1 View
- 13 923.27 cm-1 View
- 14 969.43 cm-1 View
- 15 969.43 cm-1 View
- 16 969.45 cm-1 View
- 17 1021.43 cm-1 View
- 18 1021.43 cm-1 View
- 19 1237.97 cm-1 View
- 20 1238.01 cm-1 View
- 21 1238.01 cm-1 View
- 22 1336.42 cm-1 View
- 23 1339.72 cm-1 View
- 24 1339.72 cm-1 View
- 25 1339.75 cm-1 View
- 26 1353.37 cm-1 View
- 27 1353.37 cm-1 View
- 28 1353.50 cm-1 View
- 29 1361.66 cm-1 View
- 30 1361.66 cm-1 View
- 31 1372.94 cm-1 View
- 32 1373.08 cm-1 View
- 33 1373.08 cm-1 View
- 34 3029.42 cm-1 View
- 35 3029.42 cm-1 View
- 36 3029.59 cm-1 View
- 37 3032.32 cm-1 View
- 38 3032.46 cm-1 View
- 39 3032.46 cm-1 View
- 40 3033.37 cm-1 View
- 41 3033.37 cm-1 View
- 42 3112.28 cm-1 View
- 43 3112.28 cm-1 View
- 44 3112.29 cm-1 View
- 45 3113.70 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -184.89 | kJ mol-1 |
| Polar Solvation Energy | -198.37 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.50 | kJ mol-1 |
| Surface Area | 83.07 | Å2 |
| Charge of Molecule | 1 | |
| Dipole | 0.03 | Debye |