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 | 419.60 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 429.51 | 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 | 98.08 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 131.34 | 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 | 87.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 371.32 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 20.02 | 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 19.61 eV View
- 39 19.62 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 24.52 eV View
- 47 24.98 eV View
- 48 25.69 eV View
- 49 30.35 eV View
- 50 31.43 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 5.89 | kJ mol-1 |
| Polar Solvation Energy | -5.96 | kJ mol-1 |
| Nonpolar Solvation Energy | 11.83 | kJ mol-1 |
| Surface Area | 115.99 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.07 | Debye |