Benzene
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 | 263.87 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 273.79 | 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 | 48.68 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 81.94 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 163.09 | J mol-1 K-1 |
| Rotational | 107.29 | J mol-1 K-1 |
| Vibrational | 20.79 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 291.17 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 98.26 | kJ mol-1 |
Molecular Orbitals
- 1 -300.11 eV View
- 2 -300.11 eV View
- 3 -300.10 eV View
- 4 -300.10 eV View
- 5 -300.09 eV View
- 6 -300.09 eV View
- 7 -29.72 eV View
- 8 -25.99 eV View
- 9 -25.98 eV View
- 10 -20.84 eV View
- 11 -20.80 eV View
- 12 -17.97 eV View
- 13 -16.03 eV View
- 14 -15.09 eV View
- 15 -14.49 eV View
- 16 -14.48 eV View
- 17 -12.46 eV View
- 18 -11.74 eV View
- 19 -11.72 eV View
- 20 -7.64 eV View
- 21 -7.64 eV View
- 22 7.34 eV View
- 23 7.36 eV View
- 24 13.79 eV View
- 25 15.47 eV View
- 26 17.38 eV View
- 27 17.46 eV View
- 28 19.44 eV View
- 29 19.88 eV View
- 30 19.99 eV View
- 31 23.90 eV View
- 32 23.99 eV View
- 33 24.42 eV View
- 34 24.54 eV View
- 35 29.76 eV View
- 36 31.36 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 1.35 | kJ mol-1 |
| Polar Solvation Energy | -4.89 | kJ mol-1 |
| Nonpolar Solvation Energy | 6.27 | kJ mol-1 |
| Surface Area | 92.13 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.02 | Debye |