Methylbenzene
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 | 341.74 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 351.66 | 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 | 73.32 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 106.58 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.15 | J mol-1 K-1 |
| Rotational | 112.77 | J mol-1 K-1 |
| Vibrational | 52.60 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 330.52 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 58.99 | kJ mol-1 |
Molecular Orbitals
- 1 -300.48 eV View
- 2 -300.28 eV View
- 3 -300.04 eV View
- 4 -300.03 eV View
- 5 -299.96 eV View
- 6 -299.92 eV View
- 7 -299.91 eV View
- 8 -29.81 eV View
- 9 -26.98 eV View
- 10 -25.92 eV View
- 11 -23.93 eV View
- 12 -20.89 eV View
- 13 -20.15 eV View
- 14 -17.52 eV View
- 15 -15.77 eV View
- 16 -15.68 eV View
- 17 -14.76 eV View
- 18 -14.42 eV View
- 19 -13.96 eV View
- 20 -13.37 eV View
- 21 -12.06 eV View
- 22 -11.56 eV View
- 23 -11.53 eV View
- 24 -7.59 eV View
- 25 -7.26 eV View
- 26 7.34 eV View
- 27 7.44 eV View
- 28 13.63 eV View
- 29 15.66 eV View
- 30 16.84 eV View
- 31 17.73 eV View
- 32 18.61 eV View
- 33 19.51 eV View
- 34 19.69 eV View
- 35 20.00 eV View
- 36 20.25 eV View
- 37 20.48 eV View
- 38 24.06 eV View
- 39 24.15 eV View
- 40 24.71 eV View
- 41 25.22 eV View
- 42 30.07 eV View
- 43 31.39 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 60.69 cm-1 View
- 2 193.07 cm-1 View
- 3 357.67 cm-1 View
- 4 364.43 cm-1 View
- 5 449.89 cm-1 View
- 6 541.20 cm-1 View
- 7 629.57 cm-1 View
- 8 634.27 cm-1 View
- 9 759.86 cm-1 View
- 10 848.14 cm-1 View
- 11 866.64 cm-1 View
- 12 908.18 cm-1 View
- 13 977.13 cm-1 View
- 14 987.82 cm-1 View
- 15 998.58 cm-1 View
- 16 1035.50 cm-1 View
- 17 1042.41 cm-1 View
- 18 1101.49 cm-1 View
- 19 1116.83 cm-1 View
- 20 1152.34 cm-1 View
- 21 1154.05 cm-1 View
- 22 1221.68 cm-1 View
- 23 1311.57 cm-1 View
- 24 1325.49 cm-1 View
- 25 1391.61 cm-1 View
- 26 1395.57 cm-1 View
- 27 1425.66 cm-1 View
- 28 1542.88 cm-1 View
- 29 1611.17 cm-1 View
- 30 1782.28 cm-1 View
- 31 1800.63 cm-1 View
- 32 3052.40 cm-1 View
- 33 3055.29 cm-1 View
- 34 3062.42 cm-1 View
- 35 3069.40 cm-1 View
- 36 3071.26 cm-1 View
- 37 3076.57 cm-1 View
- 38 3080.88 cm-1 View
- 39 3170.77 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 16.29 | kJ mol-1 |
| Polar Solvation Energy | -4.65 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.94 | kJ mol-1 |
| Surface Area | 94.81 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.31 | Debye |