Ethane-1,2-diol
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 | 225.66 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 235.57 | 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 | 47.16 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 80.42 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 160.23 | J mol-1 K-1 |
| Rotational | 101.58 | J mol-1 K-1 |
| Vibrational | 37.68 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 299.48 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -411.96 | kJ mol-1 |
Molecular Orbitals
- 1 -551.30 eV View
- 2 -551.30 eV View
- 3 -301.98 eV View
- 4 -301.97 eV View
- 5 -35.86 eV View
- 6 -35.20 eV View
- 7 -25.75 eV View
- 8 -21.68 eV View
- 9 -17.79 eV View
- 10 -16.92 eV View
- 11 -15.72 eV View
- 12 -14.93 eV View
- 13 -13.29 eV View
- 14 -12.07 eV View
- 15 -10.90 eV View
- 16 -10.70 eV View
- 17 -9.06 eV View
- 18 14.73 eV View
- 19 15.91 eV View
- 20 17.01 eV View
- 21 18.20 eV View
- 22 18.98 eV View
- 23 19.42 eV View
- 24 19.87 eV View
- 25 20.87 eV View
- 26 21.96 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 84.38 cm-1 View
- 2 280.39 cm-1 View
- 3 332.92 cm-1 View
- 4 368.63 cm-1 View
- 5 528.90 cm-1 View
- 6 865.40 cm-1 View
- 7 913.48 cm-1 View
- 8 1020.37 cm-1 View
- 9 1029.85 cm-1 View
- 10 1089.41 cm-1 View
- 11 1120.04 cm-1 View
- 12 1138.57 cm-1 View
- 13 1322.85 cm-1 View
- 14 1333.37 cm-1 View
- 15 1351.53 cm-1 View
- 16 1367.76 cm-1 View
- 17 1380.95 cm-1 View
- 18 1386.51 cm-1 View
- 19 2944.49 cm-1 View
- 20 2955.83 cm-1 View
- 21 3028.09 cm-1 View
- 22 3034.18 cm-1 View
- 23 3887.81 cm-1 View
- 24 3890.20 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -8.02 | kJ mol-1 |
| Polar Solvation Energy | -17.69 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.70 | kJ mol-1 |
| Surface Area | 77.21 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.27 | Debye |