1,2-dichlorobenzene
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.) | 232.12 | 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.) | 112.91 | 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 | 57.52 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 350.81 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 46.55 | 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 -301.07 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 -16.76 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 -10.23 eV View
- 36 -8.14 eV View
- 37 -7.58 eV View
- 38 6.38 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
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 124.60 cm-1 View
- 2 176.37 cm-1 View
- 3 222.67 cm-1 View
- 4 331.39 cm-1 View
- 5 410.52 cm-1 View
- 6 411.59 cm-1 View
- 7 472.40 cm-1 View
- 8 474.32 cm-1 View
- 9 682.83 cm-1 View
- 10 702.53 cm-1 View
- 11 730.02 cm-1 View
- 12 778.76 cm-1 View
- 13 890.63 cm-1 View
- 14 962.63 cm-1 View
- 15 1011.57 cm-1 View
- 16 1017.39 cm-1 View
- 17 1077.87 cm-1 View
- 18 1123.57 cm-1 View
- 19 1148.70 cm-1 View
- 20 1185.90 cm-1 View
- 21 1275.05 cm-1 View
- 22 1315.36 cm-1 View
- 23 1526.37 cm-1 View
- 24 1540.05 cm-1 View
- 25 1772.39 cm-1 View
- 26 1773.29 cm-1 View
- 27 3054.50 cm-1 View
- 28 3059.15 cm-1 View
- 29 3067.14 cm-1 View
- 30 3077.62 cm-1 View
Jmol._Canvas2D (JSmol) "jmol_vib"[x]
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 |
Jmol._Canvas2D (JSmol) "jmol_solvation"[x]