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 | 421.10 | 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 | 81.75 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 365.92 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -40.62 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 106.95 cm-1 View
- 2 144.03 cm-1 View
- 3 183.04 cm-1 View
- 4 236.79 cm-1 View
- 5 260.16 cm-1 View
- 6 281.56 cm-1 View
- 7 357.36 cm-1 View
- 8 395.89 cm-1 View
- 9 436.19 cm-1 View
- 10 478.66 cm-1 View
- 11 484.77 cm-1 View
- 12 614.08 cm-1 View
- 13 876.68 cm-1 View
- 14 927.38 cm-1 View
- 15 935.15 cm-1 View
- 16 949.97 cm-1 View
- 17 972.09 cm-1 View
- 18 977.87 cm-1 View
- 19 980.37 cm-1 View
- 20 1029.50 cm-1 View
- 21 1032.39 cm-1 View
- 22 1210.74 cm-1 View
- 23 1214.21 cm-1 View
- 24 1249.05 cm-1 View
- 25 1249.75 cm-1 View
- 26 1320.96 cm-1 View
- 27 1326.49 cm-1 View
- 28 1343.94 cm-1 View
- 29 1348.41 cm-1 View
- 30 1356.39 cm-1 View
- 31 1368.41 cm-1 View
- 32 1371.00 cm-1 View
- 33 1373.01 cm-1 View
- 34 1379.87 cm-1 View
- 35 1381.10 cm-1 View
- 36 1400.41 cm-1 View
- 37 1977.81 cm-1 View
- 38 2855.27 cm-1 View
- 39 2875.24 cm-1 View
- 40 3047.05 cm-1 View
- 41 3049.81 cm-1 View
- 42 3055.14 cm-1 View
- 43 3056.58 cm-1 View
- 44 3064.38 cm-1 View
- 45 3103.86 cm-1 View
- 46 3107.32 cm-1 View
- 47 3108.11 cm-1 View
- 48 3133.46 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 |