1,2-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 | 417.32 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 427.23 | 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 | 89.02 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 122.27 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.92 | J mol-1 K-1 |
| Rotational | 117.01 | J mol-1 K-1 |
| Vibrational | 59.30 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 343.23 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 25.99 | kJ mol-1 |
Molecular Orbitals
- 1 -300.44 eV View
- 2 -300.42 eV View
- 3 -300.14 eV View
- 4 -300.13 eV View
- 5 -299.90 eV View
- 6 -299.88 eV View
- 7 -299.84 eV View
- 8 -299.84 eV View
- 9 -29.90 eV View
- 10 -27.10 eV View
- 11 -26.68 eV View
- 12 -24.39 eV View
- 13 -23.46 eV View
- 14 -20.59 eV View
- 15 -19.78 eV View
- 16 -17.13 eV View
- 17 -16.17 eV View
- 18 -15.49 eV View
- 19 -15.09 eV View
- 20 -14.28 eV View
- 21 -14.12 eV View
- 22 -13.77 eV View
- 23 -13.49 eV View
- 24 -13.29 eV View
- 25 -11.77 eV View
- 26 -11.41 eV View
- 27 -11.25 eV View
- 28 -7.36 eV View
- 29 -7.07 eV View
- 30 7.36 eV View
- 31 7.47 eV View
- 32 13.49 eV View
- 33 15.82 eV View
- 34 16.69 eV View
- 35 17.39 eV View
- 36 18.51 eV View
- 37 18.86 eV View
- 38 19.47 eV View
- 39 19.59 eV View
- 40 19.63 eV View
- 41 19.93 eV View
- 42 20.29 eV View
- 43 20.78 eV View
- 44 21.09 eV View
- 45 24.28 eV View
- 46 24.36 eV View
- 47 25.24 eV View
- 48 25.40 eV View
- 49 30.32 eV View
- 50 31.41 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 19.23 cm-1 View
- 2 136.51 cm-1 View
- 3 144.85 cm-1 View
- 4 240.81 cm-1 View
- 5 347.19 cm-1 View
- 6 418.38 cm-1 View
- 7 421.13 cm-1 View
- 8 474.06 cm-1 View
- 9 516.84 cm-1 View
- 10 595.90 cm-1 View
- 11 688.50 cm-1 View
- 12 770.47 cm-1 View
- 13 856.77 cm-1 View
- 14 867.23 cm-1 View
- 15 874.42 cm-1 View
- 16 941.96 cm-1 View
- 17 990.87 cm-1 View
- 18 995.33 cm-1 View
- 19 1004.68 cm-1 View
- 20 1007.04 cm-1 View
- 21 1039.92 cm-1 View
- 22 1106.63 cm-1 View
- 23 1120.56 cm-1 View
- 24 1154.73 cm-1 View
- 25 1210.12 cm-1 View
- 26 1262.47 cm-1 View
- 27 1316.74 cm-1 View
- 28 1344.62 cm-1 View
- 29 1386.26 cm-1 View
- 30 1396.22 cm-1 View
- 31 1398.69 cm-1 View
- 32 1403.33 cm-1 View
- 33 1421.15 cm-1 View
- 34 1432.13 cm-1 View
- 35 1566.81 cm-1 View
- 36 1634.86 cm-1 View
- 37 1785.18 cm-1 View
- 38 1802.30 cm-1 View
- 39 3047.96 cm-1 View
- 40 3052.87 cm-1 View
- 41 3064.50 cm-1 View
- 42 3067.18 cm-1 View
- 43 3068.92 cm-1 View
- 44 3070.24 cm-1 View
- 45 3075.46 cm-1 View
- 46 3078.67 cm-1 View
- 47 3166.57 cm-1 View
- 48 3173.03 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 5.40 | kJ mol-1 |
| Polar Solvation Energy | -5.96 | kJ mol-1 |
| Nonpolar Solvation Energy | 11.41 | kJ mol-1 |
| Surface Area | 112.98 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.53 | Debye |