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 | 393.64 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 403.55 | 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 | 120.77 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 154.02 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.07 | J mol-1 K-1 |
| Rotational | 124.61 | J mol-1 K-1 |
| Vibrational | 120.37 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 416.05 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -90.36 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 50.37 cm-1 View
- 2 66.61 cm-1 View
- 3 82.44 cm-1 View
- 4 166.81 cm-1 View
- 5 177.79 cm-1 View
- 6 213.80 cm-1 View
- 7 278.52 cm-1 View
- 8 294.12 cm-1 View
- 9 371.27 cm-1 View
- 10 397.89 cm-1 View
- 11 424.09 cm-1 View
- 12 485.21 cm-1 View
- 13 563.21 cm-1 View
- 14 603.34 cm-1 View
- 15 827.10 cm-1 View
- 16 831.71 cm-1 View
- 17 879.04 cm-1 View
- 18 930.20 cm-1 View
- 19 1001.36 cm-1 View
- 20 1027.96 cm-1 View
- 21 1044.76 cm-1 View
- 22 1058.25 cm-1 View
- 23 1107.71 cm-1 View
- 24 1120.17 cm-1 View
- 25 1127.70 cm-1 View
- 26 1149.21 cm-1 View
- 27 1162.83 cm-1 View
- 28 1262.88 cm-1 View
- 29 1309.18 cm-1 View
- 30 1327.76 cm-1 View
- 31 1335.14 cm-1 View
- 32 1358.33 cm-1 View
- 33 1400.58 cm-1 View
- 34 1402.71 cm-1 View
- 35 1411.44 cm-1 View
- 36 1412.20 cm-1 View
- 37 1414.32 cm-1 View
- 38 1436.41 cm-1 View
- 39 2830.39 cm-1 View
- 40 2856.61 cm-1 View
- 41 2900.70 cm-1 View
- 42 2956.49 cm-1 View
- 43 3041.15 cm-1 View
- 44 3071.38 cm-1 View
- 45 3081.97 cm-1 View
- 46 3085.76 cm-1 View
- 47 3168.43 cm-1 View
- 48 3177.65 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -305.12 | kJ mol-1 |
| Polar Solvation Energy | -335.10 | kJ mol-1 |
| Nonpolar Solvation Energy | 30.01 | kJ mol-1 |
| Surface Area | 147.20 | Å2 |
| Charge of Molecule | -1 | |
| Dipole | 13.28 | Debye |