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 | 47.12 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 80.38 | 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 | 37.45 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 299.25 | 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 -35.85 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 -10.69 eV View
- 17 -9.06 eV View
- 18 14.73 eV View
- 19 15.90 eV View
- 20 17.00 eV View
- 21 18.20 eV View
- 22 18.98 eV View
- 23 19.42 eV View
- 24 19.86 eV View
- 25 20.87 eV View
- 26 21.96 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 85.62 cm-1 View
- 2 283.13 cm-1 View
- 3 333.57 cm-1 View
- 4 369.95 cm-1 View
- 5 528.91 cm-1 View
- 6 865.58 cm-1 View
- 7 913.46 cm-1 View
- 8 1020.44 cm-1 View
- 9 1029.69 cm-1 View
- 10 1089.36 cm-1 View
- 11 1119.96 cm-1 View
- 12 1138.52 cm-1 View
- 13 1322.83 cm-1 View
- 14 1333.23 cm-1 View
- 15 1351.41 cm-1 View
- 16 1367.75 cm-1 View
- 17 1380.91 cm-1 View
- 18 1386.50 cm-1 View
- 19 2944.39 cm-1 View
- 20 2955.73 cm-1 View
- 21 3027.90 cm-1 View
- 22 3034.00 cm-1 View
- 23 3887.09 cm-1 View
- 24 3889.47 cm-1 View