Acetaldehyde
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 | 145.55 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 155.47 | 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 | 14.09 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 47.35 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 155.95 | J mol-1 K-1 |
| Rotational | 90.57 | J mol-1 K-1 |
| Vibrational | 4.77 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 251.28 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -182.20 | kJ mol-1 |
Molecular Orbitals
- 1 -552.07 eV View
- 2 -302.66 eV View
- 3 -300.82 eV View
- 4 -36.28 eV View
- 5 -26.17 eV View
- 6 -20.30 eV View
- 7 -16.68 eV View
- 8 -15.20 eV View
- 9 -14.91 eV View
- 10 -13.49 eV View
- 11 -11.27 eV View
- 12 -9.20 eV View
- 13 7.90 eV View
- 14 16.55 eV View
- 15 18.40 eV View
- 16 19.10 eV View
- 17 19.81 eV View
- 18 21.32 eV View
- 19 26.57 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
|
- 1 58.81 cm-1 View
- 2 523.17 cm-1 View
- 3 795.52 cm-1 View
- 4 994.89 cm-1 View
- 5 1063.49 cm-1 View
- 6 1099.12 cm-1 View
- 7 1217.54 cm-1 View
- 8 1375.07 cm-1 View
- 9 1393.45 cm-1 View
- 10 1406.11 cm-1 View
- 11 1983.35 cm-1 View
- 12 2939.03 cm-1 View
- 13 3082.08 cm-1 View
- 14 3092.29 cm-1 View
- 15 3185.56 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
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| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -7.38 | kJ mol-1 |
| Polar Solvation Energy | -15.88 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.49 | kJ mol-1 |
| Surface Area | 67.93 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.04 | Debye |