Ethanol
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 | 210.37 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 220.29 | 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 | 33.22 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 66.48 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 156.51 | J mol-1 K-1 |
| Rotational | 93.29 | J mol-1 K-1 |
| Vibrational | 25.29 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 275.08 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -237.65 | kJ mol-1 |
Molecular Orbitals
- 1 -550.95 eV View
- 2 -301.85 eV View
- 3 -300.37 eV View
- 4 -35.16 eV View
- 5 -26.26 eV View
- 6 -21.55 eV View
- 7 -17.06 eV View
- 8 -16.38 eV View
- 9 -13.99 eV View
- 10 -13.07 eV View
- 11 -13.00 eV View
- 12 -11.07 eV View
- 13 -9.49 eV View
- 14 15.55 eV View
- 15 17.04 eV View
- 16 18.27 eV View
- 17 19.27 eV View
- 18 19.81 eV View
- 19 20.57 eV View
- 20 21.04 eV View
- 21 21.27 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 169.51 cm-1 View
- 2 200.76 cm-1 View
- 3 444.44 cm-1 View
- 4 841.67 cm-1 View
- 5 963.90 cm-1 View
- 6 1036.46 cm-1 View
- 7 1082.30 cm-1 View
- 8 1122.14 cm-1 View
- 9 1124.19 cm-1 View
- 10 1286.14 cm-1 View
- 11 1363.75 cm-1 View
- 12 1380.22 cm-1 View
- 13 1401.62 cm-1 View
- 14 1412.05 cm-1 View
- 15 1436.59 cm-1 View
- 16 2912.54 cm-1 View
- 17 2973.82 cm-1 View
- 18 3086.42 cm-1 View
- 19 3091.09 cm-1 View
- 20 3185.78 cm-1 View
- 21 3908.85 cm-1 View