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 | 225.69 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 235.61 | 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 | 46.97 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 80.23 | 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 | 36.95 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 298.75 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -411.90 | 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 -35.85 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 -9.05 eV View
- 18 14.73 eV View
- 19 15.90 eV View
- 20 17.01 eV View
- 21 18.20 eV View
- 22 18.98 eV View
- 23 19.42 eV View
- 24 19.86 eV View
- 25 20.86 eV View
- 26 21.96 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 86.75 cm-1 View
- 2 293.37 cm-1 View
- 3 334.37 cm-1 View
- 4 377.35 cm-1 View
- 5 528.88 cm-1 View
- 6 865.56 cm-1 View
- 7 913.46 cm-1 View
- 8 1020.47 cm-1 View
- 9 1029.59 cm-1 View
- 10 1089.47 cm-1 View
- 11 1119.83 cm-1 View
- 12 1138.40 cm-1 View
- 13 1322.69 cm-1 View
- 14 1333.25 cm-1 View
- 15 1351.21 cm-1 View
- 16 1367.62 cm-1 View
- 17 1380.73 cm-1 View
- 18 1386.21 cm-1 View
- 19 2944.01 cm-1 View
- 20 2955.35 cm-1 View
- 21 3027.58 cm-1 View
- 22 3033.70 cm-1 View
- 23 3887.10 cm-1 View
- 24 3889.43 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -8.21 | kJ mol-1 |
| Polar Solvation Energy | -17.67 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.45 | kJ mol-1 |
| Surface Area | 78.59 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.28 | Debye |