1,2-dichlorobenzene
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 | 222.20 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 232.11 | 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 | 79.66 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 112.92 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.90 | J mol-1 K-1 |
| Rotational | 122.39 | J mol-1 K-1 |
| Vibrational | 57.54 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 350.82 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 46.70 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.36 eV View
- 2 -2820.36 eV View
- 3 -302.29 eV View
- 4 -302.28 eV View
- 5 -301.06 eV View
- 6 -301.06 eV View
- 7 -300.91 eV View
- 8 -300.90 eV View
- 9 -281.54 eV View
- 10 -281.53 eV View
- 11 -211.96 eV View
- 12 -211.95 eV View
- 13 -211.79 eV View
- 14 -211.79 eV View
- 15 -211.79 eV View
- 16 -211.78 eV View
- 17 -31.80 eV View
- 18 -29.22 eV View
- 19 -29.05 eV View
- 20 -26.14 eV View
- 21 -25.10 eV View
- 22 -21.72 eV View
- 23 -20.74 eV View
- 24 -17.89 eV View
- 25 -16.75 eV View
- 26 -16.19 eV View
- 27 -14.92 eV View
- 28 -14.52 eV View
- 29 -14.45 eV View
- 30 -12.82 eV View
- 31 -12.52 eV View
- 32 -11.67 eV View
- 33 -11.25 eV View
- 34 -10.67 eV View
- 35 -10.24 eV View
- 36 -8.14 eV View
- 37 -7.57 eV View
- 38 6.37 eV View
- 39 6.45 eV View
- 40 10.34 eV View
- 41 12.78 eV View
- 42 12.89 eV View
- 43 15.78 eV View
- 44 17.05 eV View
- 45 18.86 eV View
- 46 18.97 eV View
- 47 21.90 eV View
- 48 22.66 eV View
- 49 23.23 eV View
- 50 23.33 eV View
- 51 28.58 eV View
- 52 29.83 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 124.37 cm-1 View
- 2 176.31 cm-1 View
- 3 222.71 cm-1 View
- 4 331.36 cm-1 View
- 5 407.41 cm-1 View
- 6 414.41 cm-1 View
- 7 472.56 cm-1 View
- 8 474.49 cm-1 View
- 9 682.86 cm-1 View
- 10 702.52 cm-1 View
- 11 729.95 cm-1 View
- 12 779.00 cm-1 View
- 13 890.45 cm-1 View
- 14 962.48 cm-1 View
- 15 1011.61 cm-1 View
- 16 1017.42 cm-1 View
- 17 1077.89 cm-1 View
- 18 1123.61 cm-1 View
- 19 1148.73 cm-1 View
- 20 1185.92 cm-1 View
- 21 1275.13 cm-1 View
- 22 1315.40 cm-1 View
- 23 1526.35 cm-1 View
- 24 1540.03 cm-1 View
- 25 1772.30 cm-1 View
- 26 1773.20 cm-1 View
- 27 3054.44 cm-1 View
- 28 3059.10 cm-1 View
- 29 3067.09 cm-1 View
- 30 3077.56 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |