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 | 47.43 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 57.35 | 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 | 96.47 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 129.73 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 175.42 | J mol-1 K-1 |
| Rotational | 125.79 | J mol-1 K-1 |
| Vibrational | 91.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 392.26 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -305.33 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.03 eV View
- 2 -2820.03 eV View
- 3 -2820.03 eV View
- 4 -2820.03 eV View
- 5 -2487.70 eV View
- 6 -708.31 eV View
- 7 -708.30 eV View
- 8 -281.46 eV View
- 9 -281.46 eV View
- 10 -281.46 eV View
- 11 -281.45 eV View
- 12 -251.71 eV View
- 13 -211.88 eV View
- 14 -211.88 eV View
- 15 -211.88 eV View
- 16 -211.87 eV View
- 17 -211.70 eV View
- 18 -211.70 eV View
- 19 -211.70 eV View
- 20 -211.69 eV View
- 21 -211.69 eV View
- 22 -211.69 eV View
- 23 -211.69 eV View
- 24 -211.68 eV View
- 25 -187.42 eV View
- 26 -187.37 eV View
- 27 -187.37 eV View
- 28 -44.30 eV View
- 29 -43.65 eV View
- 30 -31.99 eV View
- 31 -28.94 eV View
- 32 -28.94 eV View
- 33 -27.10 eV View
- 34 -24.46 eV View
- 35 -19.99 eV View
- 36 -19.18 eV View
- 37 -19.18 eV View
- 38 -16.26 eV View
- 39 -16.26 eV View
- 40 -14.21 eV View
- 41 -14.21 eV View
- 42 -12.66 eV View
- 43 -11.62 eV View
- 44 -11.40 eV View
- 45 -11.40 eV View
- 46 -11.32 eV View
- 47 -11.17 eV View
- 48 -11.17 eV View
- 49 -10.78 eV View
- 50 -10.47 eV View
- 51 -9.11 eV View
- 52 2.13 eV View
- 53 3.16 eV View
- 54 3.16 eV View
- 55 9.71 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 |