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 | 616.06 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 625.98 | 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 | 168.38 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 201.64 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.08 | J mol-1 K-1 |
| Rotational | 127.68 | J mol-1 K-1 |
| Vibrational | 214.31 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 513.07 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -89.19 | kJ mol-1 |
Molecular Orbitals
- 1 -551.89 eV View
- 2 -551.89 eV View
- 3 -417.66 eV View
- 4 -417.66 eV View
- 5 -301.82 eV View
- 6 -301.81 eV View
- 7 -301.54 eV View
- 8 -301.53 eV View
- 9 -300.57 eV View
- 10 -300.56 eV View
- 11 -35.97 eV View
- 12 -35.62 eV View
- 13 -29.69 eV View
- 14 -29.17 eV View
- 15 -26.25 eV View
- 16 -25.56 eV View
- 17 -24.12 eV View
- 18 -21.66 eV View
- 19 -21.51 eV View
- 20 -20.92 eV View
- 21 -17.25 eV View
- 22 -16.87 eV View
- 23 -16.33 eV View
- 24 -16.08 eV View
- 25 -15.69 eV View
- 26 -15.30 eV View
- 27 -14.94 eV View
- 28 -14.82 eV View
- 29 -13.88 eV View
- 30 -13.61 eV View
- 31 -13.47 eV View
- 32 -12.85 eV View
- 33 -12.71 eV View
- 34 -12.70 eV View
- 35 -12.53 eV View
- 36 -12.02 eV View
- 37 -10.86 eV View
- 38 -9.50 eV View
- 39 -9.17 eV View
- 40 -8.24 eV View
- 41 -8.20 eV View
- 42 12.93 eV View
- 43 12.97 eV View
- 44 15.63 eV View
- 45 16.23 eV View
- 46 16.39 eV View
- 47 16.49 eV View
- 48 16.54 eV View
- 49 17.05 eV View
- 50 18.21 eV View
- 51 18.70 eV View
- 52 18.89 eV View
- 53 18.98 eV View
- 54 19.26 eV View
- 55 19.33 eV View
- 56 19.83 eV View
- 57 19.93 eV View
- 58 20.04 eV View
- 59 20.27 eV View
- 60 20.29 eV View
- 61 20.61 eV View
- 62 20.66 eV View
- 63 20.89 eV View
- 64 21.31 eV View
- 65 21.58 eV View
- 66 21.70 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 20.84 | kJ mol-1 |
| Polar Solvation Energy | -16.39 | kJ mol-1 |
| Nonpolar Solvation Energy | 37.24 | kJ mol-1 |
| Surface Area | 149.86 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.02 | Debye |