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 | 288.38 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 298.30 | 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 | 106.43 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 139.69 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.73 | J mol-1 K-1 |
| Rotational | 124.57 | J mol-1 K-1 |
| Vibrational | 106.55 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 401.84 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -374.46 | kJ mol-1 |
Molecular Orbitals
- 1 -1087.00 eV View
- 2 -547.42 eV View
- 3 -547.41 eV View
- 4 -301.70 eV View
- 5 -299.92 eV View
- 6 -299.84 eV View
- 7 -299.84 eV View
- 8 -299.82 eV View
- 9 -299.78 eV View
- 10 -299.78 eV View
- 11 -73.01 eV View
- 12 -36.21 eV View
- 13 -36.14 eV View
- 14 -36.11 eV View
- 15 -34.36 eV View
- 16 -30.69 eV View
- 17 -29.44 eV View
- 18 -25.88 eV View
- 19 -25.67 eV View
- 20 -21.11 eV View
- 21 -20.51 eV View
- 22 -18.23 eV View
- 23 -16.54 eV View
- 24 -14.95 eV View
- 25 -14.86 eV View
- 26 -14.14 eV View
- 27 -13.82 eV View
- 28 -12.92 eV View
- 29 -11.87 eV View
- 30 -11.81 eV View
- 31 -11.43 eV View
- 32 -10.96 eV View
- 33 -7.67 eV View
- 34 -7.33 eV View
- 35 -7.15 eV View
- 36 -6.33 eV View
- 37 -5.78 eV View
- 38 3.84 eV View
- 39 6.63 eV View
- 40 7.69 eV View
- 41 8.67 eV View
- 42 9.98 eV View
- 43 11.39 eV View
- 44 14.30 eV View
- 45 14.79 eV View
- 46 16.14 eV View
- 47 17.62 eV View
- 48 18.12 eV View
- 49 19.71 eV View
- 50 20.00 eV View
- 51 20.26 eV View
- 52 23.09 eV View
- 53 23.94 eV View
- 54 24.39 eV View
- 55 24.75 eV View
- 56 27.09 eV View
- 57 27.72 eV View
- 58 30.98 eV View
- 59 31.62 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 |