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 | 304.38 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 314.30 | 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 | 110.62 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 143.87 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.91 | J mol-1 K-1 |
| Rotational | 115.73 | J mol-1 K-1 |
| Vibrational | 129.42 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 412.06 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -475.57 | kJ mol-1 |
Molecular Orbitals
- 1 -1851.79 eV View
- 2 -1851.68 eV View
- 3 -549.32 eV View
- 4 -299.54 eV View
- 5 -299.54 eV View
- 6 -164.55 eV View
- 7 -164.52 eV View
- 8 -110.87 eV View
- 9 -110.82 eV View
- 10 -110.82 eV View
- 11 -110.80 eV View
- 12 -110.79 eV View
- 13 -110.79 eV View
- 14 -33.65 eV View
- 15 -24.97 eV View
- 16 -24.16 eV View
- 17 -18.94 eV View
- 18 -17.30 eV View
- 19 -14.77 eV View
- 20 -14.57 eV View
- 21 -14.24 eV View
- 22 -13.93 eV View
- 23 -13.35 eV View
- 24 -13.13 eV View
- 25 -12.68 eV View
- 26 -11.35 eV View
- 27 -10.89 eV View
- 28 -9.64 eV View
- 29 -8.99 eV View
- 30 9.32 eV View
- 31 12.44 eV View
- 32 12.77 eV View
- 33 13.15 eV View
- 34 13.32 eV View
- 35 13.43 eV View
- 36 13.93 eV View
- 37 15.53 eV View
- 38 19.23 eV View
- 39 19.61 eV View
- 40 19.69 eV View
- 41 20.30 eV View
- 42 20.48 eV View
- 43 20.74 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 17.12 cm-1 View
- 2 59.55 cm-1 View
- 3 91.75 cm-1 View
- 4 99.41 cm-1 View
- 5 133.92 cm-1 View
- 6 194.37 cm-1 View
- 7 236.09 cm-1 View
- 8 263.68 cm-1 View
- 9 575.43 cm-1 View
- 10 625.66 cm-1 View
- 11 629.59 cm-1 View
- 12 637.69 cm-1 View
- 13 657.88 cm-1 View
- 14 715.49 cm-1 View
- 15 787.68 cm-1 View
- 16 810.80 cm-1 View
- 17 855.82 cm-1 View
- 18 863.66 cm-1 View
- 19 868.05 cm-1 View
- 20 870.29 cm-1 View
- 21 883.02 cm-1 View
- 22 898.26 cm-1 View
- 23 1081.61 cm-1 View
- 24 1305.36 cm-1 View
- 25 1312.51 cm-1 View
- 26 1406.76 cm-1 View
- 27 1407.13 cm-1 View
- 28 1411.24 cm-1 View
- 29 1411.50 cm-1 View
- 30 1935.96 cm-1 View
- 31 1941.02 cm-1 View
- 32 1948.97 cm-1 View
- 33 1963.60 cm-1 View
- 34 3129.50 cm-1 View
- 35 3129.85 cm-1 View
- 36 3130.35 cm-1 View
- 37 3130.58 cm-1 View
- 38 3227.87 cm-1 View
- 39 3227.92 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 |