1-chloro-2-(2-chloroethylsulfanyl)ethane
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 | 311.30 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 321.22 | 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 | 104.30 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 137.56 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 171.88 | J mol-1 K-1 |
| Rotational | 127.07 | J mol-1 K-1 |
| Vibrational | 137.79 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 436.74 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -98.41 | kJ mol-1 |
Molecular Orbitals
- 1 -2819.30 eV View
- 2 -2819.30 eV View
- 3 -2473.44 eV View
- 4 -302.80 eV View
- 5 -302.80 eV View
- 6 -302.21 eV View
- 7 -302.21 eV View
- 8 -280.59 eV View
- 9 -280.59 eV View
- 10 -238.83 eV View
- 11 -211.00 eV View
- 12 -211.00 eV View
- 13 -210.85 eV View
- 14 -210.85 eV View
- 15 -210.85 eV View
- 16 -210.85 eV View
- 17 -174.52 eV View
- 18 -174.45 eV View
- 19 -174.36 eV View
- 20 -30.09 eV View
- 21 -29.71 eV View
- 22 -27.56 eV View
- 23 -25.88 eV View
- 24 -23.15 eV View
- 25 -21.86 eV View
- 26 -21.05 eV View
- 27 -17.57 eV View
- 28 -17.19 eV View
- 29 -15.51 eV View
- 30 -15.27 eV View
- 31 -14.72 eV View
- 32 -14.38 eV View
- 33 -13.76 eV View
- 34 -13.22 eV View
- 35 -11.63 eV View
- 36 -10.75 eV View
- 37 -10.05 eV View
- 38 -10.02 eV View
- 39 -10.01 eV View
- 40 -9.82 eV View
- 41 -8.42 eV View
- 42 9.10 eV View
- 43 10.05 eV View
- 44 10.86 eV View
- 45 12.71 eV View
- 46 15.52 eV View
- 47 15.72 eV View
- 48 17.46 eV View
- 49 17.96 eV View
- 50 18.00 eV View
- 51 18.50 eV View
- 52 18.72 eV View
- 53 19.39 eV View
- 54 19.56 eV View
- 55 19.67 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 32.10 cm-1 View
- 2 41.97 cm-1 View
- 3 62.56 cm-1 View
- 4 63.92 cm-1 View
- 5 64.33 cm-1 View
- 6 203.95 cm-1 View
- 7 208.57 cm-1 View
- 8 324.14 cm-1 View
- 9 328.63 cm-1 View
- 10 687.92 cm-1 View
- 11 697.93 cm-1 View
- 12 779.44 cm-1 View
- 13 779.57 cm-1 View
- 14 781.09 cm-1 View
- 15 822.09 cm-1 View
- 16 934.88 cm-1 View
- 17 939.03 cm-1 View
- 18 1041.97 cm-1 View
- 19 1042.21 cm-1 View
- 20 1118.96 cm-1 View
- 21 1122.16 cm-1 View
- 22 1122.95 cm-1 View
- 23 1128.30 cm-1 View
- 24 1190.01 cm-1 View
- 25 1199.19 cm-1 View
- 26 1286.30 cm-1 View
- 27 1293.84 cm-1 View
- 28 1362.79 cm-1 View
- 29 1363.57 cm-1 View
- 30 1398.46 cm-1 View
- 31 1401.60 cm-1 View
- 32 2976.04 cm-1 View
- 33 2978.53 cm-1 View
- 34 3002.71 cm-1 View
- 35 3002.84 cm-1 View
- 36 3055.07 cm-1 View
- 37 3055.39 cm-1 View
- 38 3056.49 cm-1 View
- 39 3057.69 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 |