1,4-dimethylbenzene
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 | 419.62 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 429.53 | 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 | 98.02 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 131.27 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.92 | J mol-1 K-1 |
| Rotational | 116.96 | J mol-1 K-1 |
| Vibrational | 86.12 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 370.00 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 19.97 | kJ mol-1 |
Molecular Orbitals
- 1 -300.42 eV View
- 2 -300.42 eV View
- 3 -300.15 eV View
- 4 -300.15 eV View
- 5 -299.87 eV View
- 6 -299.86 eV View
- 7 -299.86 eV View
- 8 -299.85 eV View
- 9 -29.88 eV View
- 10 -27.51 eV View
- 11 -25.87 eV View
- 12 -25.20 eV View
- 13 -22.85 eV View
- 14 -20.95 eV View
- 15 -19.74 eV View
- 16 -16.85 eV View
- 17 -16.07 eV View
- 18 -15.64 eV View
- 19 -14.83 eV View
- 20 -14.57 eV View
- 21 -14.34 eV View
- 22 -14.00 eV View
- 23 -13.47 eV View
- 24 -12.86 eV View
- 25 -11.66 eV View
- 26 -11.40 eV View
- 27 -11.38 eV View
- 28 -7.55 eV View
- 29 -6.92 eV View
- 30 7.35 eV View
- 31 7.49 eV View
- 32 13.47 eV View
- 33 15.86 eV View
- 34 16.60 eV View
- 35 17.88 eV View
- 36 17.99 eV View
- 37 19.27 eV View
- 38 19.57 eV View
- 39 19.66 eV View
- 40 19.86 eV View
- 41 20.04 eV View
- 42 20.20 eV View
- 43 20.40 eV View
- 44 20.88 eV View
- 45 24.22 eV View
- 46 24.53 eV View
- 47 24.97 eV View
- 48 25.69 eV View
- 49 30.35 eV View
- 50 31.43 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 59.24 cm-1 View
- 2 61.35 cm-1 View
- 3 125.31 cm-1 View
- 4 297.06 cm-1 View
- 5 305.28 cm-1 View
- 6 358.46 cm-1 View
- 7 413.55 cm-1 View
- 8 479.22 cm-1 View
- 9 495.72 cm-1 View
- 10 644.51 cm-1 View
- 11 657.49 cm-1 View
- 12 790.80 cm-1 View
- 13 827.32 cm-1 View
- 14 846.44 cm-1 View
- 15 946.79 cm-1 View
- 16 972.36 cm-1 View
- 17 976.04 cm-1 View
- 18 988.32 cm-1 View
- 19 994.66 cm-1 View
- 20 1018.99 cm-1 View
- 21 1039.60 cm-1 View
- 22 1050.07 cm-1 View
- 23 1130.15 cm-1 View
- 24 1157.29 cm-1 View
- 25 1220.63 cm-1 View
- 26 1227.47 cm-1 View
- 27 1320.37 cm-1 View
- 28 1348.73 cm-1 View
- 29 1382.99 cm-1 View
- 30 1395.29 cm-1 View
- 31 1395.56 cm-1 View
- 32 1397.88 cm-1 View
- 33 1410.31 cm-1 View
- 34 1486.36 cm-1 View
- 35 1538.05 cm-1 View
- 36 1651.39 cm-1 View
- 37 1779.38 cm-1 View
- 38 1812.79 cm-1 View
- 39 3048.55 cm-1 View
- 40 3053.50 cm-1 View
- 41 3062.48 cm-1 View
- 42 3068.53 cm-1 View
- 43 3070.98 cm-1 View
- 44 3071.17 cm-1 View
- 45 3076.64 cm-1 View
- 46 3076.80 cm-1 View
- 47 3170.66 cm-1 View
- 48 3170.84 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 16.84 | kJ mol-1 |
| Polar Solvation Energy | -5.24 | kJ mol-1 |
| Nonpolar Solvation Energy | 22.07 | kJ mol-1 |
| Surface Area | 112.38 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.06 | Debye |