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.) | 431.00 | 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 | 81.74 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 365.91 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -40.62 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 107.03 cm-1 View
- 2 144.06 cm-1 View
- 3 183.11 cm-1 View
- 4 236.84 cm-1 View
- 5 260.18 cm-1 View
- 6 281.56 cm-1 View
- 7 357.18 cm-1 View
- 8 395.80 cm-1 View
- 9 436.23 cm-1 View
- 10 478.68 cm-1 View
- 11 484.75 cm-1 View
- 12 614.08 cm-1 View
- 13 876.73 cm-1 View
- 14 927.36 cm-1 View
- 15 935.15 cm-1 View
- 16 949.97 cm-1 View
- 17 972.12 cm-1 View
- 18 977.86 cm-1 View
- 19 980.32 cm-1 View
- 20 1029.52 cm-1 View
- 21 1032.35 cm-1 View
- 22 1210.71 cm-1 View
- 23 1213.99 cm-1 View
- 24 1249.06 cm-1 View
- 25 1249.69 cm-1 View
- 26 1320.98 cm-1 View
- 27 1326.55 cm-1 View
- 28 1343.92 cm-1 View
- 29 1348.41 cm-1 View
- 30 1356.42 cm-1 View
- 31 1368.47 cm-1 View
- 32 1371.02 cm-1 View
- 33 1372.94 cm-1 View
- 34 1379.91 cm-1 View
- 35 1381.17 cm-1 View
- 36 1400.37 cm-1 View
- 37 1976.61 cm-1 View
- 38 2855.39 cm-1 View
- 39 2875.36 cm-1 View
- 40 3046.97 cm-1 View
- 41 3049.86 cm-1 View
- 42 3055.10 cm-1 View
- 43 3056.52 cm-1 View
- 44 3064.31 cm-1 View
- 45 3103.85 cm-1 View
- 46 3107.41 cm-1 View
- 47 3108.05 cm-1 View
- 48 3133.42 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 |