1,3-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 | 222.08 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 231.99 | 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 | 79.84 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 113.10 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.90 | J mol-1 K-1 |
| Rotational | 123.91 | J mol-1 K-1 |
| Vibrational | 56.47 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 351.27 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 42.62 | kJ mol-1 |
Molecular Orbitals
- 1 -2820.29 eV View
- 2 -2820.29 eV View
- 3 -302.30 eV View
- 4 -302.30 eV View
- 5 -301.15 eV View
- 6 -301.06 eV View
- 7 -300.99 eV View
- 8 -300.99 eV View
- 9 -281.47 eV View
- 10 -281.47 eV View
- 11 -211.90 eV View
- 12 -211.90 eV View
- 13 -211.73 eV View
- 14 -211.73 eV View
- 15 -211.73 eV View
- 16 -211.73 eV View
- 17 -31.58 eV View
- 18 -30.00 eV View
- 19 -28.38 eV View
- 20 -26.13 eV View
- 21 -25.34 eV View
- 22 -21.68 eV View
- 23 -20.61 eV View
- 24 -18.16 eV View
- 25 -16.78 eV View
- 26 -16.08 eV View
- 27 -14.89 eV View
- 28 -14.63 eV View
- 29 -14.36 eV View
- 30 -12.93 eV View
- 31 -12.46 eV View
- 32 -12.32 eV View
- 33 -10.75 eV View
- 34 -10.59 eV View
- 35 -10.35 eV View
- 36 -8.17 eV View
- 37 -7.66 eV View
- 38 6.35 eV View
- 39 6.41 eV View
- 40 10.61 eV View
- 41 12.20 eV View
- 42 12.74 eV View
- 43 16.06 eV View
- 44 17.47 eV View
- 45 18.09 eV View
- 46 19.07 eV View
- 47 21.90 eV View
- 48 22.71 eV View
- 49 23.20 eV View
- 50 23.27 eV View
- 51 28.51 eV View
- 52 29.75 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 159.03 cm-1 View
- 2 183.90 cm-1 View
- 3 195.24 cm-1 View
- 4 354.92 cm-1 View
- 5 395.66 cm-1 View
- 6 397.25 cm-1 View
- 7 422.88 cm-1 View
- 8 529.61 cm-1 View
- 9 631.86 cm-1 View
- 10 672.68 cm-1 View
- 11 775.27 cm-1 View
- 12 812.14 cm-1 View
- 13 927.63 cm-1 View
- 14 935.79 cm-1 View
- 15 1004.29 cm-1 View
- 16 1004.48 cm-1 View
- 17 1073.84 cm-1 View
- 18 1098.31 cm-1 View
- 19 1145.41 cm-1 View
- 20 1195.63 cm-1 View
- 21 1277.43 cm-1 View
- 22 1316.09 cm-1 View
- 23 1529.60 cm-1 View
- 24 1538.77 cm-1 View
- 25 1772.79 cm-1 View
- 26 1774.72 cm-1 View
- 27 3055.24 cm-1 View
- 28 3063.46 cm-1 View
- 29 3063.64 cm-1 View
- 30 3075.56 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]