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 | 333.78 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 343.70 | 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 | 127.67 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 160.93 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 174.05 | J mol-1 K-1 |
| Rotational | 129.02 | J mol-1 K-1 |
| Vibrational | 124.04 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 427.10 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -657.08 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.26 eV View
- 2 -2819.83 eV View
- 3 -706.03 eV View
- 4 -553.12 eV View
- 5 -551.95 eV View
- 6 -304.81 eV View
- 7 -303.82 eV View
- 8 -303.63 eV View
- 9 -303.54 eV View
- 10 -301.10 eV View
- 11 -281.53 eV View
- 12 -281.11 eV View
- 13 -211.94 eV View
- 14 -211.79 eV View
- 15 -211.79 eV View
- 16 -211.53 eV View
- 17 -211.38 eV View
- 18 -211.37 eV View
- 19 -41.27 eV View
- 20 -38.43 eV View
- 21 -35.37 eV View
- 22 -31.60 eV View
- 23 -29.08 eV View
- 24 -27.01 eV View
- 25 -25.94 eV View
- 26 -23.51 eV View
- 27 -21.32 eV View
- 28 -20.72 eV View
- 29 -19.15 eV View
- 30 -17.99 eV View
- 31 -17.11 eV View
- 32 -16.06 eV View
- 33 -15.87 eV View
- 34 -15.60 eV View
- 35 -14.70 eV View
- 36 -14.32 eV View
- 37 -14.21 eV View
- 38 -13.58 eV View
- 39 -13.32 eV View
- 40 -12.91 eV View
- 41 -12.17 eV View
- 42 -11.54 eV View
- 43 -11.30 eV View
- 44 -10.79 eV View
- 45 -10.48 eV View
- 46 -10.15 eV View
- 47 -9.86 eV View
- 48 -9.63 eV View
- 49 7.00 eV View
- 50 9.37 eV View
- 51 9.89 eV View
- 52 13.84 eV View
- 53 14.91 eV View
- 54 15.26 eV View
- 55 15.79 eV View
- 56 16.03 eV View
- 57 16.82 eV View
- 58 17.94 eV View
- 59 18.08 eV View
- 60 19.02 eV View
- 61 19.68 eV View
- 62 20.05 eV View
- 63 20.49 eV View
- 64 21.86 eV View
- 65 26.55 eV 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 |