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 | 52.01 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 61.92 | 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 | 85.72 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 118.97 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 172.19 | J mol-1 K-1 |
| Rotational | 117.50 | J mol-1 K-1 |
| Vibrational | 64.16 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 353.85 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -1017.51 | kJ mol-1 |
Molecular Orbitals
- 1 -2818.08 eV View
- 2 -2491.58 eV View
- 3 -706.64 eV View
- 4 -706.64 eV View
- 5 -706.64 eV View
- 6 -706.62 eV View
- 7 -706.50 eV View
- 8 -279.68 eV View
- 9 -255.01 eV View
- 10 -210.09 eV View
- 11 -209.93 eV View
- 12 -209.93 eV View
- 13 -190.75 eV View
- 14 -190.75 eV View
- 15 -190.71 eV View
- 16 -47.36 eV View
- 17 -43.82 eV View
- 18 -43.82 eV View
- 19 -42.53 eV View
- 20 -41.74 eV View
- 21 -28.73 eV View
- 22 -25.45 eV View
- 23 -21.44 eV View
- 24 -21.44 eV View
- 25 -20.90 eV View
- 26 -16.55 eV View
- 27 -16.08 eV View
- 28 -16.08 eV View
- 29 -15.07 eV View
- 30 -14.66 eV View
- 31 -14.66 eV View
- 32 -14.14 eV View
- 33 -14.13 eV View
- 34 -14.13 eV View
- 35 -13.71 eV View
- 36 -12.36 eV View
- 37 -10.35 eV View
- 38 -10.35 eV View
- 39 -10.14 eV View
- 40 4.58 eV View
- 41 10.82 eV View
- 42 12.05 eV View
- 43 12.05 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 |