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 | 421.09 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 431.01 | 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 | 103.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 137.20 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.26 | J mol-1 K-1 |
| Rotational | 116.91 | J mol-1 K-1 |
| Vibrational | 81.73 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 365.90 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -40.61 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 107.05 cm-1 View
- 2 144.09 cm-1 View
- 3 183.15 cm-1 View
- 4 236.88 cm-1 View
- 5 260.17 cm-1 View
- 6 281.61 cm-1 View
- 7 357.22 cm-1 View
- 8 395.81 cm-1 View
- 9 436.23 cm-1 View
- 10 478.74 cm-1 View
- 11 484.77 cm-1 View
- 12 614.11 cm-1 View
- 13 876.80 cm-1 View
- 14 927.42 cm-1 View
- 15 935.18 cm-1 View
- 16 949.96 cm-1 View
- 17 972.11 cm-1 View
- 18 977.88 cm-1 View
- 19 980.33 cm-1 View
- 20 1029.52 cm-1 View
- 21 1032.37 cm-1 View
- 22 1210.74 cm-1 View
- 23 1213.86 cm-1 View
- 24 1249.07 cm-1 View
- 25 1249.70 cm-1 View
- 26 1320.99 cm-1 View
- 27 1326.57 cm-1 View
- 28 1343.93 cm-1 View
- 29 1348.41 cm-1 View
- 30 1356.40 cm-1 View
- 31 1368.42 cm-1 View
- 32 1371.03 cm-1 View
- 33 1372.91 cm-1 View
- 34 1379.91 cm-1 View
- 35 1381.17 cm-1 View
- 36 1400.26 cm-1 View
- 37 1976.72 cm-1 View
- 38 2855.73 cm-1 View
- 39 2875.66 cm-1 View
- 40 3046.98 cm-1 View
- 41 3049.88 cm-1 View
- 42 3055.08 cm-1 View
- 43 3056.44 cm-1 View
- 44 3064.31 cm-1 View
- 45 3103.86 cm-1 View
- 46 3107.61 cm-1 View
- 47 3107.69 cm-1 View
- 48 3133.41 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 | 0 | |
| Dipole | 0.00 | Debye |