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 | 195.81 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 205.73 | 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 | 53.82 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 87.08 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.25 | J mol-1 K-1 |
| Rotational | 109.75 | J mol-1 K-1 |
| Vibrational | 27.40 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 306.40 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 216.95 | kJ mol-1 |
Molecular Orbitals
- 1 -11643.15 eV View
- 2 -1493.58 eV View
- 3 -1345.74 eV View
- 4 -1345.73 eV View
- 5 -1345.71 eV View
- 6 -299.85 eV View
- 7 -299.84 eV View
- 8 -299.07 eV View
- 9 -299.07 eV View
- 10 -200.44 eV View
- 11 -143.36 eV View
- 12 -143.35 eV View
- 13 -143.18 eV View
- 14 -31.90 eV View
- 15 -31.88 eV View
- 16 -31.74 eV View
- 17 -31.71 eV View
- 18 -31.62 eV View
- 19 -28.62 eV View
- 20 -24.80 eV View
- 21 -22.01 eV View
- 22 -18.28 eV View
- 23 -17.80 eV View
- 24 -16.80 eV View
- 25 -13.98 eV View
- 26 -13.01 eV View
- 27 -12.00 eV View
- 28 -10.37 eV View
- 29 -10.28 eV View
- 30 -7.31 eV View
- 31 -7.07 eV View
- 32 6.55 eV View
- 33 10.02 eV View
- 34 11.47 eV View
- 35 12.35 eV View
- 36 15.08 eV View
- 37 16.72 eV View
- 38 18.20 eV View
- 39 19.96 eV View
- 40 22.33 eV View
- 41 25.43 eV View
- 42 25.66 eV View
- 43 30.28 eV View
- 44 2347.94 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 |