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 | 535.04 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 544.96 | 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 | 143.30 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 176.56 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.30 | J mol-1 K-1 |
| Rotational | 130.66 | J mol-1 K-1 |
| Vibrational | 196.50 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 497.45 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -136.93 | kJ mol-1 |
Molecular Orbitals
- 1 -550.57 eV View
- 2 -416.57 eV View
- 3 -302.77 eV View
- 4 -300.55 eV View
- 5 -300.19 eV View
- 6 -300.19 eV View
- 7 -300.18 eV View
- 8 -300.18 eV View
- 9 -300.17 eV View
- 10 -300.16 eV View
- 11 -35.11 eV View
- 12 -30.34 eV View
- 13 -29.80 eV View
- 14 -26.07 eV View
- 15 -26.06 eV View
- 16 -25.80 eV View
- 17 -21.37 eV View
- 18 -20.90 eV View
- 19 -20.88 eV View
- 20 -18.05 eV View
- 21 -17.39 eV View
- 22 -16.24 eV View
- 23 -16.11 eV View
- 24 -15.32 eV View
- 25 -15.17 eV View
- 26 -14.82 eV View
- 27 -14.57 eV View
- 28 -14.50 eV View
- 29 -13.99 eV View
- 30 -12.87 eV View
- 31 -12.54 eV View
- 32 -11.81 eV View
- 33 -11.80 eV View
- 34 -10.97 eV View
- 35 -9.43 eV View
- 36 -8.87 eV View
- 37 -7.73 eV View
- 38 -7.72 eV View
- 39 7.26 eV View
- 40 7.27 eV View
- 41 13.70 eV View
- 42 15.25 eV View
- 43 15.36 eV View
- 44 15.71 eV View
- 45 17.03 eV View
- 46 17.34 eV View
- 47 17.38 eV View
- 48 18.32 eV View
- 49 18.92 eV View
- 50 19.21 eV View
- 51 19.41 eV View
- 52 19.73 eV View
- 53 19.87 eV View
- 54 20.26 eV View
- 55 21.03 eV View
- 56 21.42 eV View
- 57 22.32 eV View
- 58 23.86 eV View
- 59 23.90 eV View
- 60 24.39 eV View
- 61 24.40 eV View
- 62 29.68 eV View
- 63 31.28 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 8.13 cm-1 View
- 2 11.89 cm-1 View
- 3 19.96 cm-1 View
- 4 22.89 cm-1 View
- 5 29.61 cm-1 View
- 6 45.14 cm-1 View
- 7 84.58 cm-1 View
- 8 187.14 cm-1 View
- 9 328.23 cm-1 View
- 10 356.32 cm-1 View
- 11 363.49 cm-1 View
- 12 402.80 cm-1 View
- 13 411.91 cm-1 View
- 14 531.20 cm-1 View
- 15 620.21 cm-1 View
- 16 620.75 cm-1 View
- 17 623.41 cm-1 View
- 18 719.37 cm-1 View
- 19 850.71 cm-1 View
- 20 855.57 cm-1 View
- 21 917.91 cm-1 View
- 22 975.68 cm-1 View
- 23 976.47 cm-1 View
- 24 978.69 cm-1 View
- 25 981.75 cm-1 View
- 26 987.41 cm-1 View
- 27 1023.88 cm-1 View
- 28 1025.70 cm-1 View
- 29 1062.38 cm-1 View
- 30 1068.58 cm-1 View
- 31 1070.31 cm-1 View
- 32 1087.13 cm-1 View
- 33 1147.49 cm-1 View
- 34 1149.52 cm-1 View
- 35 1155.35 cm-1 View
- 36 1163.82 cm-1 View
- 37 1225.70 cm-1 View
- 38 1229.86 cm-1 View
- 39 1266.42 cm-1 View
- 40 1303.42 cm-1 View
- 41 1321.06 cm-1 View
- 42 1396.76 cm-1 View
- 43 1403.93 cm-1 View
- 44 1405.07 cm-1 View
- 45 1416.96 cm-1 View
- 46 1547.46 cm-1 View
- 47 1547.84 cm-1 View
- 48 1660.45 cm-1 View
- 49 1784.93 cm-1 View
- 50 1785.90 cm-1 View
- 51 2884.69 cm-1 View
- 52 3041.20 cm-1 View
- 53 3053.67 cm-1 View
- 54 3058.56 cm-1 View
- 55 3066.47 cm-1 View
- 56 3067.09 cm-1 View
- 57 3071.16 cm-1 View
- 58 3078.54 cm-1 View
- 59 3081.54 cm-1 View
- 60 3173.55 cm-1 View
- 61 3404.68 cm-1 View
- 62 3537.20 cm-1 View
- 63 3844.54 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 9.10 | kJ mol-1 |
| Polar Solvation Energy | -22.59 | kJ mol-1 |
| Nonpolar Solvation Energy | 31.68 | kJ mol-1 |
| Surface Area | 146.73 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.73 | Debye |