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 | 263.88 | 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 | 48.67 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 81.92 | 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 | 20.77 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 291.14 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 98.40 | 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 -14.49 eV View
- 16 -14.48 eV View
- 17 -12.47 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 13.78 eV View
- 25 15.47 eV View
- 26 17.42 eV View
- 27 17.43 eV View
- 28 19.44 eV View
- 29 19.93 eV View
- 30 19.94 eV View
- 31 23.94 eV View
- 32 23.96 eV View
- 33 24.46 eV View
- 34 24.48 eV View
- 35 29.76 eV View
- 36 31.36 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 356.59 cm-1 View
- 2 357.10 cm-1 View
- 3 619.42 cm-1 View
- 4 620.43 cm-1 View
- 5 620.56 cm-1 View
- 6 714.66 cm-1 View
- 7 849.82 cm-1 View
- 8 850.09 cm-1 View
- 9 975.94 cm-1 View
- 10 978.21 cm-1 View
- 11 978.38 cm-1 View
- 12 1024.64 cm-1 View
- 13 1068.78 cm-1 View
- 14 1068.97 cm-1 View
- 15 1147.56 cm-1 View
- 16 1148.45 cm-1 View
- 17 1154.56 cm-1 View
- 18 1225.16 cm-1 View
- 19 1229.71 cm-1 View
- 20 1303.30 cm-1 View
- 21 1547.50 cm-1 View
- 22 1547.67 cm-1 View
- 23 1785.32 cm-1 View
- 24 1785.78 cm-1 View
- 25 3055.13 cm-1 View
- 26 3059.20 cm-1 View
- 27 3059.86 cm-1 View
- 28 3072.54 cm-1 View
- 29 3073.12 cm-1 View
- 30 3084.76 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 10.06 | kJ mol-1 |
| Polar Solvation Energy | -4.79 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.84 | kJ mol-1 |
| Surface Area | 83.74 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.07 | Debye |