1-ethylsulfonylethane
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 | 377.26 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 387.17 | 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 | 114.40 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 147.66 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.66 | J mol-1 K-1 |
| Rotational | 117.53 | J mol-1 K-1 |
| Vibrational | 114.33 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 400.53 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -337.96 | kJ mol-1 |
Molecular Orbitals
- 1 -2483.62 eV View
- 2 -546.23 eV View
- 3 -546.22 eV View
- 4 -301.60 eV View
- 5 -301.60 eV View
- 6 -301.08 eV View
- 7 -301.08 eV View
- 8 -247.91 eV View
- 9 -183.65 eV View
- 10 -183.59 eV View
- 11 -183.55 eV View
- 12 -36.80 eV View
- 13 -32.98 eV View
- 14 -28.64 eV View
- 15 -27.93 eV View
- 16 -24.68 eV View
- 17 -22.61 eV View
- 18 -20.12 eV View
- 19 -18.17 eV View
- 20 -17.04 eV View
- 21 -16.47 eV View
- 22 -15.39 eV View
- 23 -14.94 eV View
- 24 -14.08 eV View
- 25 -13.80 eV View
- 26 -13.65 eV View
- 27 -13.64 eV View
- 28 -13.07 eV View
- 29 -12.06 eV View
- 30 -7.94 eV View
- 31 -7.55 eV View
- 32 -7.48 eV View
- 33 -7.41 eV View
- 34 9.84 eV View
- 35 9.88 eV View
- 36 14.26 eV View
- 37 14.51 eV View
- 38 16.27 eV View
- 39 17.36 eV View
- 40 17.47 eV View
- 41 17.55 eV View
- 42 18.27 eV View
- 43 18.79 eV View
- 44 19.58 eV View
- 45 19.67 eV View
- 46 20.02 eV View
- 47 20.17 eV View
- 48 20.66 eV View
- 49 20.91 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 45.97 cm-1 View
- 2 50.14 cm-1 View
- 3 144.32 cm-1 View
- 4 174.32 cm-1 View
- 5 174.80 cm-1 View
- 6 246.29 cm-1 View
- 7 278.30 cm-1 View
- 8 313.97 cm-1 View
- 9 332.17 cm-1 View
- 10 388.56 cm-1 View
- 11 492.57 cm-1 View
- 12 607.22 cm-1 View
- 13 662.08 cm-1 View
- 14 743.22 cm-1 View
- 15 755.69 cm-1 View
- 16 798.19 cm-1 View
- 17 872.50 cm-1 View
- 18 993.76 cm-1 View
- 19 1024.95 cm-1 View
- 20 1034.48 cm-1 View
- 21 1041.39 cm-1 View
- 22 1116.88 cm-1 View
- 23 1122.78 cm-1 View
- 24 1130.93 cm-1 View
- 25 1134.96 cm-1 View
- 26 1248.64 cm-1 View
- 27 1260.75 cm-1 View
- 28 1377.11 cm-1 View
- 29 1377.90 cm-1 View
- 30 1399.29 cm-1 View
- 31 1399.45 cm-1 View
- 32 1404.14 cm-1 View
- 33 1404.30 cm-1 View
- 34 1408.71 cm-1 View
- 35 1413.45 cm-1 View
- 36 2975.47 cm-1 View
- 37 2976.42 cm-1 View
- 38 3062.33 cm-1 View
- 39 3062.76 cm-1 View
- 40 3077.88 cm-1 View
- 41 3078.33 cm-1 View
- 42 3079.01 cm-1 View
- 43 3079.04 cm-1 View
- 44 3175.70 cm-1 View
- 45 3175.91 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -30.69 | kJ mol-1 |
| Polar Solvation Energy | -52.24 | kJ mol-1 |
| Nonpolar Solvation Energy | 21.53 | kJ mol-1 |
| Surface Area | 111.56 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 6.08 | Debye |