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 | 341.75 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 351.67 | 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 | 53.20 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 331.11 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 58.98 | 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 -14.77 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 56.49 cm-1 View
- 2 192.92 cm-1 View
- 3 357.66 cm-1 View
- 4 364.63 cm-1 View
- 5 449.84 cm-1 View
- 6 541.23 cm-1 View
- 7 629.58 cm-1 View
- 8 634.26 cm-1 View
- 9 759.93 cm-1 View
- 10 848.20 cm-1 View
- 11 866.68 cm-1 View
- 12 908.11 cm-1 View
- 13 977.18 cm-1 View
- 14 987.73 cm-1 View
- 15 998.55 cm-1 View
- 16 1035.36 cm-1 View
- 17 1042.56 cm-1 View
- 18 1101.58 cm-1 View
- 19 1116.88 cm-1 View
- 20 1152.48 cm-1 View
- 21 1154.12 cm-1 View
- 22 1221.80 cm-1 View
- 23 1311.70 cm-1 View
- 24 1325.45 cm-1 View
- 25 1391.53 cm-1 View
- 26 1395.63 cm-1 View
- 27 1425.75 cm-1 View
- 28 1542.93 cm-1 View
- 29 1611.25 cm-1 View
- 30 1782.35 cm-1 View
- 31 1800.71 cm-1 View
- 32 3052.42 cm-1 View
- 33 3055.12 cm-1 View
- 34 3062.41 cm-1 View
- 35 3069.20 cm-1 View
- 36 3071.91 cm-1 View
- 37 3077.10 cm-1 View
- 38 3080.72 cm-1 View
- 39 3171.41 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 16.41 | kJ mol-1 |
| Polar Solvation Energy | -4.65 | kJ mol-1 |
| Nonpolar Solvation Energy | 21.07 | kJ mol-1 |
| Surface Area | 94.37 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.31 | Debye |