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 | 47.49 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 57.41 | 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 | 96.45 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 129.71 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 175.42 | J mol-1 K-1 |
| Rotational | 125.46 | J mol-1 K-1 |
| Vibrational | 91.48 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 392.36 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -336.62 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.00 eV View
- 2 -2820.00 eV View
- 3 -2819.76 eV View
- 4 -2819.76 eV View
- 5 -2488.05 eV View
- 6 -708.42 eV View
- 7 -708.41 eV View
- 8 -281.44 eV View
- 9 -281.43 eV View
- 10 -281.21 eV View
- 11 -281.21 eV View
- 12 -252.03 eV View
- 13 -211.86 eV View
- 14 -211.85 eV View
- 15 -211.67 eV View
- 16 -211.67 eV View
- 17 -211.67 eV View
- 18 -211.67 eV View
- 19 -211.63 eV View
- 20 -211.63 eV View
- 21 -211.45 eV View
- 22 -211.45 eV View
- 23 -211.45 eV View
- 24 -211.44 eV View
- 25 -187.71 eV View
- 26 -187.71 eV View
- 27 -187.69 eV View
- 28 -45.55 eV View
- 29 -43.22 eV View
- 30 -32.66 eV View
- 31 -29.00 eV View
- 32 -27.85 eV View
- 33 -27.34 eV View
- 34 -24.72 eV View
- 35 -19.77 eV View
- 36 -19.76 eV View
- 37 -19.52 eV View
- 38 -16.21 eV View
- 39 -16.16 eV View
- 40 -15.07 eV View
- 41 -14.52 eV View
- 42 -12.29 eV View
- 43 -12.01 eV View
- 44 -11.81 eV View
- 45 -11.62 eV View
- 46 -11.38 eV View
- 47 -10.81 eV View
- 48 -10.49 eV View
- 49 -10.44 eV View
- 50 -9.86 eV View
- 51 -9.32 eV View
- 52 0.84 eV View
- 53 3.18 eV View
- 54 6.35 eV View
- 55 8.76 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 |