(2s)-2-chlorooxane
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 | 359.36 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 369.27 | 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 | 80.63 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 113.88 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.46 | J mol-1 K-1 |
| Rotational | 116.67 | J mol-1 K-1 |
| Vibrational | 54.52 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 339.64 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -272.24 | kJ mol-1 |
Molecular Orbitals
- 1 -2818.34 eV View
- 2 -552.14 eV View
- 3 -303.63 eV View
- 4 -302.16 eV View
- 5 -301.25 eV View
- 6 -300.99 eV View
- 7 -300.98 eV View
- 8 -279.72 eV View
- 9 -210.12 eV View
- 10 -209.99 eV View
- 11 -209.98 eV View
- 12 -36.51 eV View
- 13 -28.98 eV View
- 14 -28.15 eV View
- 15 -25.92 eV View
- 16 -23.02 eV View
- 17 -22.39 eV View
- 18 -19.44 eV View
- 19 -17.94 eV View
- 20 -16.54 eV View
- 21 -16.32 eV View
- 22 -15.29 eV View
- 23 -14.97 eV View
- 24 -14.35 eV View
- 25 -13.66 eV View
- 26 -12.57 eV View
- 27 -12.38 eV View
- 28 -11.80 eV View
- 29 -10.59 eV View
- 30 -9.62 eV View
- 31 -9.40 eV View
- 32 -9.15 eV View
- 33 10.03 eV View
- 34 14.35 eV View
- 35 15.25 eV View
- 36 15.53 eV View
- 37 16.41 eV View
- 38 17.31 eV View
- 39 17.52 eV View
- 40 18.03 eV View
- 41 19.20 eV View
- 42 19.77 eV View
- 43 20.22 eV View
- 44 20.30 eV View
- 45 20.58 eV View
- 46 21.02 eV View
- 47 21.51 eV View
- 48 22.40 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 111.39 cm-1 View
- 2 174.99 cm-1 View
- 3 267.38 cm-1 View
- 4 328.92 cm-1 View
- 5 388.61 cm-1 View
- 6 489.39 cm-1 View
- 7 526.54 cm-1 View
- 8 578.83 cm-1 View
- 9 722.96 cm-1 View
- 10 851.53 cm-1 View
- 11 915.30 cm-1 View
- 12 939.63 cm-1 View
- 13 951.59 cm-1 View
- 14 966.68 cm-1 View
- 15 1000.64 cm-1 View
- 16 1050.84 cm-1 View
- 17 1065.79 cm-1 View
- 18 1075.52 cm-1 View
- 19 1086.59 cm-1 View
- 20 1131.60 cm-1 View
- 21 1135.49 cm-1 View
- 22 1143.57 cm-1 View
- 23 1151.50 cm-1 View
- 24 1166.74 cm-1 View
- 25 1275.96 cm-1 View
- 26 1313.07 cm-1 View
- 27 1323.73 cm-1 View
- 28 1348.37 cm-1 View
- 29 1361.03 cm-1 View
- 30 1369.19 cm-1 View
- 31 1396.22 cm-1 View
- 32 1406.38 cm-1 View
- 33 1412.23 cm-1 View
- 34 2948.98 cm-1 View
- 35 2958.85 cm-1 View
- 36 2961.92 cm-1 View
- 37 2970.10 cm-1 View
- 38 2976.17 cm-1 View
- 39 3038.81 cm-1 View
- 40 3040.46 cm-1 View
- 41 3045.25 cm-1 View
- 42 3052.15 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 |