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 | 280.95 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 290.87 | 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 | 89.63 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 122.88 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.76 | J mol-1 K-1 |
| Rotational | 119.86 | J mol-1 K-1 |
| Vibrational | 78.91 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 367.53 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -241.32 | kJ mol-1 |
Molecular Orbitals
- 1 -552.28 eV View
- 2 -551.12 eV View
- 3 -417.78 eV View
- 4 -304.21 eV View
- 5 -302.02 eV View
- 6 -301.67 eV View
- 7 -301.15 eV View
- 8 -301.07 eV View
- 9 -300.98 eV View
- 10 -37.80 eV View
- 11 -34.57 eV View
- 12 -32.89 eV View
- 13 -28.32 eV View
- 14 -27.26 eV View
- 15 -23.20 eV View
- 16 -22.09 eV View
- 17 -20.31 eV View
- 18 -18.25 eV View
- 19 -17.04 eV View
- 20 -16.69 eV View
- 21 -15.97 eV View
- 22 -15.70 eV View
- 23 -14.61 eV View
- 24 -14.03 eV View
- 25 -13.66 eV View
- 26 -13.36 eV View
- 27 -12.22 eV View
- 28 -9.82 eV View
- 29 -9.42 eV View
- 30 -9.01 eV View
- 31 -8.91 eV View
- 32 -8.43 eV View
- 33 6.09 eV View
- 34 6.37 eV View
- 35 8.29 eV View
- 36 12.52 eV View
- 37 14.98 eV View
- 38 15.83 eV View
- 39 16.97 eV View
- 40 17.95 eV View
- 41 18.69 eV View
- 42 18.97 eV View
- 43 20.44 eV View
- 44 21.03 eV View
- 45 22.93 eV View
- 46 23.33 eV View
- 47 23.59 eV View
- 48 26.94 eV View
- 49 28.85 eV View
- 50 29.32 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -15.07 | kJ mol-1 |
| Polar Solvation Energy | -27.94 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.87 | kJ mol-1 |
| Surface Area | 124.28 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.05 | Debye |