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 | 20.80 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 291.18 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 98.05 | kJ mol-1 |
Molecular Orbitals
- 1 -300.11 eV View
- 2 -300.11 eV View
- 3 -300.11 eV View
- 4 -300.10 eV View
- 5 -300.10 eV View
- 6 -300.09 eV View
- 7 -29.72 eV View
- 8 -25.98 eV View
- 9 -25.98 eV View
- 10 -20.82 eV View
- 11 -20.82 eV View
- 12 -17.97 eV View
- 13 -16.03 eV View
- 14 -15.09 eV View
- 15 -14.48 eV View
- 16 -14.48 eV View
- 17 -12.46 eV View
- 18 -11.73 eV View
- 19 -11.73 eV View
- 20 -7.64 eV View
- 21 -7.64 eV View
- 22 7.35 eV View
- 23 7.35 eV View
- 24 13.79 eV View
- 25 15.47 eV View
- 26 17.42 eV View
- 27 17.42 eV View
- 28 19.44 eV View
- 29 19.93 eV View
- 30 19.93 eV View
- 31 23.95 eV View
- 32 23.95 eV View
- 33 24.47 eV View
- 34 24.47 eV View
- 35 29.76 eV View
- 36 31.36 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 355.94 cm-1 View
- 2 356.03 cm-1 View
- 3 619.05 cm-1 View
- 4 620.48 cm-1 View
- 5 620.53 cm-1 View
- 6 715.31 cm-1 View
- 7 850.27 cm-1 View
- 8 850.38 cm-1 View
- 9 975.94 cm-1 View
- 10 978.20 cm-1 View
- 11 978.25 cm-1 View
- 12 1024.12 cm-1 View
- 13 1068.76 cm-1 View
- 14 1068.83 cm-1 View
- 15 1147.91 cm-1 View
- 16 1147.97 cm-1 View
- 17 1154.41 cm-1 View
- 18 1225.11 cm-1 View
- 19 1229.55 cm-1 View
- 20 1303.99 cm-1 View
- 21 1547.52 cm-1 View
- 22 1547.55 cm-1 View
- 23 1785.43 cm-1 View
- 24 1785.53 cm-1 View
- 25 3055.13 cm-1 View
- 26 3059.48 cm-1 View
- 27 3059.58 cm-1 View
- 28 3072.76 cm-1 View
- 29 3072.86 cm-1 View
- 30 3084.74 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 2.30 | kJ mol-1 |
| Polar Solvation Energy | -4.94 | kJ mol-1 |
| Nonpolar Solvation Energy | 7.23 | kJ mol-1 |
| Surface Area | 91.66 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |