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 | 114.74 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 124.65 | 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 | 88.33 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 121.59 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 173.50 | J mol-1 K-1 |
| Rotational | 127.01 | J mol-1 K-1 |
| Vibrational | 96.87 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 397.38 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -378.43 | kJ mol-1 |
Molecular Orbitals
- 1 -2821.58 eV View
- 2 -2820.46 eV View
- 3 -2820.46 eV View
- 4 -708.47 eV View
- 5 -707.90 eV View
- 6 -304.73 eV View
- 7 -304.66 eV View
- 8 -303.73 eV View
- 9 -282.71 eV View
- 10 -281.68 eV View
- 11 -281.67 eV View
- 12 -213.13 eV View
- 13 -212.97 eV View
- 14 -212.96 eV View
- 15 -212.09 eV View
- 16 -212.09 eV View
- 17 -211.93 eV View
- 18 -211.93 eV View
- 19 -211.93 eV View
- 20 -211.92 eV View
- 21 -43.03 eV View
- 22 -42.43 eV View
- 23 -31.78 eV View
- 24 -30.49 eV View
- 25 -27.71 eV View
- 26 -26.80 eV View
- 27 -23.15 eV View
- 28 -20.04 eV View
- 29 -18.78 eV View
- 30 -17.55 eV View
- 31 -17.32 eV View
- 32 -16.00 eV View
- 33 -15.68 eV View
- 34 -15.37 eV View
- 35 -14.26 eV View
- 36 -14.14 eV View
- 37 -12.94 eV View
- 38 -12.49 eV View
- 39 -11.79 eV View
- 40 -11.14 eV View
- 41 -11.04 eV View
- 42 -10.48 eV View
- 43 -10.30 eV View
- 44 -8.18 eV View
- 45 6.07 eV View
- 46 8.99 eV View
- 47 9.98 eV View
- 48 11.12 eV View
- 49 13.53 eV View
- 50 15.55 eV View
- 51 16.77 eV View
- 52 21.86 eV View
- 53 24.37 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 |