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 | 211.39 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 221.31 | 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 | 32.00 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 65.25 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 156.51 | J mol-1 K-1 |
| Rotational | 93.41 | J mol-1 K-1 |
| Vibrational | 20.89 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 270.81 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -245.40 | kJ mol-1 |
Molecular Orbitals
- 1 -550.95 eV View
- 2 -301.85 eV View
- 3 -300.52 eV View
- 4 -35.20 eV View
- 5 -26.34 eV View
- 6 -21.86 eV View
- 7 -17.06 eV View
- 8 -15.48 eV View
- 9 -15.11 eV View
- 10 -13.59 eV View
- 11 -12.87 eV View
- 12 -10.90 eV View
- 13 -9.49 eV View
- 14 15.65 eV View
- 15 16.63 eV View
- 16 18.27 eV View
- 17 19.17 eV View
- 18 19.81 eV View
- 19 20.45 eV View
- 20 20.55 eV View
- 21 21.80 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
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- 1 183.04 cm-1 View
- 2 326.56 cm-1 View
- 3 463.24 cm-1 View
- 4 837.38 cm-1 View
- 5 965.77 cm-1 View
- 6 1020.81 cm-1 View
- 7 1100.42 cm-1 View
- 8 1115.08 cm-1 View
- 9 1130.15 cm-1 View
- 10 1329.78 cm-1 View
- 11 1376.10 cm-1 View
- 12 1382.78 cm-1 View
- 13 1407.20 cm-1 View
- 14 1409.45 cm-1 View
- 15 1421.87 cm-1 View
- 16 2939.02 cm-1 View
- 17 3030.16 cm-1 View
- 18 3082.39 cm-1 View
- 19 3091.97 cm-1 View
- 20 3186.12 cm-1 View
- 21 3888.08 cm-1 View