(1s,2s)-1,2-dichlorocyclohexane
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 | 401.12 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 411.04 | 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 | 101.10 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 134.36 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.40 | J mol-1 K-1 |
| Rotational | 122.97 | J mol-1 K-1 |
| Vibrational | 76.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 370.95 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -171.50 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.05 eV View
- 2 -2819.05 eV View
- 3 -302.76 eV View
- 4 -302.76 eV View
- 5 -301.16 eV View
- 6 -301.16 eV View
- 7 -300.81 eV View
- 8 -300.80 eV View
- 9 -280.38 eV View
- 10 -280.38 eV View
- 11 -210.79 eV View
- 12 -210.79 eV View
- 13 -210.64 eV View
- 14 -210.64 eV View
- 15 -210.64 eV View
- 16 -210.64 eV View
- 17 -31.27 eV View
- 18 -28.55 eV View
- 19 -28.09 eV View
- 20 -26.35 eV View
- 21 -24.76 eV View
- 22 -22.12 eV View
- 23 -21.93 eV View
- 24 -18.95 eV View
- 25 -18.00 eV View
- 26 -16.43 eV View
- 27 -16.09 eV View
- 28 -14.92 eV View
- 29 -14.68 eV View
- 30 -14.38 eV View
- 31 -14.31 eV View
- 32 -12.67 eV View
- 33 -12.49 eV View
- 34 -11.71 eV View
- 35 -11.52 eV View
- 36 -11.18 eV View
- 37 -10.26 eV View
- 38 -9.84 eV View
- 39 -9.84 eV View
- 40 -9.58 eV View
- 41 9.01 eV View
- 42 11.49 eV View
- 43 15.31 eV View
- 44 15.43 eV View
- 45 15.65 eV View
- 46 16.20 eV View
- 47 17.42 eV View
- 48 17.43 eV View
- 49 18.31 eV View
- 50 18.62 eV View
- 51 19.68 eV View
- 52 19.97 eV View
- 53 20.53 eV View
- 54 20.66 eV View
- 55 20.67 eV View
- 56 21.41 eV View
- 57 21.68 eV View
- 58 21.82 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 93.35 cm-1 View
- 2 141.74 cm-1 View
- 3 186.41 cm-1 View
- 4 217.14 cm-1 View
- 5 294.64 cm-1 View
- 6 334.61 cm-1 View
- 7 358.71 cm-1 View
- 8 492.41 cm-1 View
- 9 503.82 cm-1 View
- 10 628.04 cm-1 View
- 11 711.09 cm-1 View
- 12 714.19 cm-1 View
- 13 852.85 cm-1 View
- 14 918.81 cm-1 View
- 15 924.68 cm-1 View
- 16 951.06 cm-1 View
- 17 951.15 cm-1 View
- 18 963.72 cm-1 View
- 19 1052.35 cm-1 View
- 20 1076.41 cm-1 View
- 21 1089.06 cm-1 View
- 22 1094.36 cm-1 View
- 23 1097.85 cm-1 View
- 24 1138.34 cm-1 View
- 25 1157.05 cm-1 View
- 26 1161.42 cm-1 View
- 27 1166.56 cm-1 View
- 28 1208.85 cm-1 View
- 29 1236.33 cm-1 View
- 30 1303.36 cm-1 View
- 31 1312.08 cm-1 View
- 32 1339.43 cm-1 View
- 33 1356.78 cm-1 View
- 34 1362.57 cm-1 View
- 35 1387.78 cm-1 View
- 36 1397.07 cm-1 View
- 37 1406.58 cm-1 View
- 38 1410.74 cm-1 View
- 39 2918.69 cm-1 View
- 40 2923.94 cm-1 View
- 41 2953.09 cm-1 View
- 42 2956.50 cm-1 View
- 43 2962.31 cm-1 View
- 44 2967.98 cm-1 View
- 45 3030.67 cm-1 View
- 46 3032.05 cm-1 View
- 47 3037.68 cm-1 View
- 48 3043.05 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 |