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 | 337.46 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 347.37 | 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 | 120.90 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 154.16 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 172.20 | J mol-1 K-1 |
| Rotational | 126.13 | J mol-1 K-1 |
| Vibrational | 127.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 425.91 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -1006.46 | kJ mol-1 |
Molecular Orbitals
- 1 -706.02 eV View
- 2 -705.92 eV View
- 3 -705.88 eV View
- 4 -705.71 eV View
- 5 -705.69 eV View
- 6 -303.15 eV View
- 7 -303.14 eV View
- 8 -303.13 eV View
- 9 -302.87 eV View
- 10 -302.87 eV View
- 11 -41.43 eV View
- 12 -41.16 eV View
- 13 -41.09 eV View
- 14 -40.89 eV View
- 15 -40.80 eV View
- 16 -27.86 eV View
- 17 -26.49 eV View
- 18 -24.30 eV View
- 19 -21.80 eV View
- 20 -21.05 eV View
- 21 -18.25 eV View
- 22 -18.00 eV View
- 23 -17.08 eV View
- 24 -17.03 eV View
- 25 -16.73 eV View
- 26 -16.08 eV View
- 27 -15.86 eV View
- 28 -15.64 eV View
- 29 -15.07 eV View
- 30 -14.57 eV View
- 31 -14.05 eV View
- 32 -13.41 eV View
- 33 -13.09 eV View
- 34 -12.81 eV View
- 35 -12.71 eV View
- 36 -11.63 eV View
- 37 -11.53 eV View
- 38 -11.00 eV View
- 39 -10.92 eV View
- 40 -10.68 eV View
- 41 -9.68 eV View
- 42 12.61 eV View
- 43 14.16 eV View
- 44 14.59 eV View
- 45 15.75 eV View
- 46 16.37 eV View
- 47 16.73 eV View
- 48 17.29 eV View
- 49 18.02 eV View
- 50 18.12 eV View
- 51 19.06 eV View
- 52 19.12 eV View
- 53 19.27 eV View
- 54 19.68 eV View
- 55 19.77 eV View
- 56 20.26 eV View
- 57 20.95 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 24.27 cm-1 View
- 2 56.12 cm-1 View
- 3 89.17 cm-1 View
- 4 120.78 cm-1 View
- 5 190.08 cm-1 View
- 6 249.19 cm-1 View
- 7 263.82 cm-1 View
- 8 340.15 cm-1 View
- 9 380.08 cm-1 View
- 10 384.76 cm-1 View
- 11 465.26 cm-1 View
- 12 499.77 cm-1 View
- 13 522.81 cm-1 View
- 14 595.48 cm-1 View
- 15 696.43 cm-1 View
- 16 880.14 cm-1 View
- 17 936.93 cm-1 View
- 18 974.20 cm-1 View
- 19 1024.53 cm-1 View
- 20 1036.30 cm-1 View
- 21 1068.68 cm-1 View
- 22 1073.84 cm-1 View
- 23 1091.13 cm-1 View
- 24 1099.36 cm-1 View
- 25 1104.32 cm-1 View
- 26 1113.33 cm-1 View
- 27 1155.95 cm-1 View
- 28 1160.00 cm-1 View
- 29 1176.74 cm-1 View
- 30 1242.57 cm-1 View
- 31 1280.49 cm-1 View
- 32 1344.34 cm-1 View
- 33 1356.36 cm-1 View
- 34 1491.42 cm-1 View
- 35 1501.22 cm-1 View
- 36 1519.28 cm-1 View
- 37 1533.60 cm-1 View
- 38 1564.92 cm-1 View
- 39 2880.91 cm-1 View
- 40 2891.06 cm-1 View
- 41 2892.93 cm-1 View
- 42 2976.63 cm-1 View
- 43 2980.37 cm-1 View
- 44 3019.46 cm-1 View
- 45 3021.22 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 |