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 | 485.49 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 495.40 | 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 | 78.61 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 111.87 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.15 | J mol-1 K-1 |
| Rotational | 114.73 | J mol-1 K-1 |
| Vibrational | 36.13 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 318.01 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 127.08 | kJ mol-1 |
Molecular Orbitals
- 1 -300.13 eV View
- 2 -300.13 eV View
- 3 -300.12 eV View
- 4 -300.12 eV View
- 5 -299.98 eV View
- 6 -299.97 eV View
- 7 -299.97 eV View
- 8 -299.97 eV View
- 9 -30.93 eV View
- 10 -27.96 eV View
- 11 -24.73 eV View
- 12 -24.34 eV View
- 13 -22.08 eV View
- 14 -20.87 eV View
- 15 -19.86 eV View
- 16 -17.91 eV View
- 17 -16.86 eV View
- 18 -16.77 eV View
- 19 -15.61 eV View
- 20 -14.44 eV View
- 21 -14.19 eV View
- 22 -14.12 eV View
- 23 -12.88 eV View
- 24 -11.96 eV View
- 25 -11.73 eV View
- 26 -11.26 eV View
- 27 -10.31 eV View
- 28 -9.88 eV View
- 29 -9.82 eV View
- 30 -8.61 eV View
- 31 13.31 eV View
- 32 14.17 eV View
- 33 14.54 eV View
- 34 15.22 eV View
- 35 15.61 eV View
- 36 16.72 eV View
- 37 16.83 eV View
- 38 17.19 eV View
- 39 17.95 eV View
- 40 18.63 eV View
- 41 19.33 eV View
- 42 19.54 eV View
- 43 19.57 eV View
- 44 20.58 eV View
- 45 21.49 eV View
- 46 21.63 eV View
- 47 21.99 eV View
- 48 22.74 eV View
- 49 22.76 eV View
- 50 23.81 eV View
- 51 25.48 eV View
- 52 28.03 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 15.43 | kJ mol-1 |
| Polar Solvation Energy | -2.19 | kJ mol-1 |
| Nonpolar Solvation Energy | 17.64 | kJ mol-1 |
| Surface Area | 97.12 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.19 | Debye |