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 | 299.19 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 309.11 | 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 | 89.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 122.27 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.64 | J mol-1 K-1 |
| Rotational | 123.33 | J mol-1 K-1 |
| Vibrational | 60.22 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 354.19 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 15.41 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.35 eV View
- 2 -554.05 eV View
- 3 -417.17 eV View
- 4 -301.86 eV View
- 5 -301.79 eV View
- 6 -300.46 eV View
- 7 -300.38 eV View
- 8 -300.13 eV View
- 9 -300.08 eV View
- 10 -281.54 eV View
- 11 -211.97 eV View
- 12 -211.80 eV View
- 13 -211.79 eV View
- 14 -36.84 eV View
- 15 -31.51 eV View
- 16 -29.22 eV View
- 17 -26.74 eV View
- 18 -26.22 eV View
- 19 -24.63 eV View
- 20 -21.52 eV View
- 21 -20.45 eV View
- 22 -17.94 eV View
- 23 -17.74 eV View
- 24 -16.55 eV View
- 25 -15.46 eV View
- 26 -15.15 eV View
- 27 -15.12 eV View
- 28 -14.75 eV View
- 29 -13.09 eV View
- 30 -12.99 eV View
- 31 -12.72 eV View
- 32 -11.60 eV View
- 33 -10.77 eV View
- 34 -10.05 eV View
- 35 -9.43 eV View
- 36 -8.08 eV View
- 37 -5.81 eV View
- 38 7.02 eV View
- 39 7.58 eV View
- 40 7.60 eV View
- 41 13.59 eV View
- 42 14.98 eV View
- 43 15.86 eV View
- 44 16.81 eV View
- 45 17.69 eV View
- 46 18.59 eV View
- 47 19.45 eV View
- 48 19.97 eV View
- 49 20.83 eV View
- 50 23.56 eV View
- 51 24.20 eV View
- 52 24.55 eV View
- 53 25.09 eV View
- 54 29.64 eV View
- 55 30.89 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 |