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 | 341.73 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 351.65 | 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 | 73.36 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 106.62 | 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 | 53.12 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 331.04 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 59.04 | kJ mol-1 |
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 57.45 cm-1 View
- 2 192.55 cm-1 View
- 3 356.44 cm-1 View
- 4 363.72 cm-1 View
- 5 449.51 cm-1 View
- 6 541.04 cm-1 View
- 7 629.65 cm-1 View
- 8 633.89 cm-1 View
- 9 760.14 cm-1 View
- 10 848.27 cm-1 View
- 11 866.56 cm-1 View
- 12 908.11 cm-1 View
- 13 976.89 cm-1 View
- 14 987.48 cm-1 View
- 15 998.40 cm-1 View
- 16 1035.22 cm-1 View
- 17 1042.10 cm-1 View
- 18 1101.21 cm-1 View
- 19 1116.67 cm-1 View
- 20 1152.06 cm-1 View
- 21 1153.77 cm-1 View
- 22 1221.32 cm-1 View
- 23 1313.01 cm-1 View
- 24 1325.45 cm-1 View
- 25 1391.44 cm-1 View
- 26 1395.65 cm-1 View
- 27 1425.43 cm-1 View
- 28 1542.87 cm-1 View
- 29 1611.19 cm-1 View
- 30 1782.35 cm-1 View
- 31 1800.66 cm-1 View
- 32 3052.45 cm-1 View
- 33 3055.26 cm-1 View
- 34 3062.36 cm-1 View
- 35 3069.33 cm-1 View
- 36 3071.85 cm-1 View
- 37 3076.95 cm-1 View
- 38 3080.74 cm-1 View
- 39 3171.28 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 4.29 | kJ mol-1 |
| Polar Solvation Energy | -5.39 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.70 | kJ mol-1 |
| Surface Area | 101.68 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.31 | Debye |