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 | 148.05 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 157.97 | 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 | 22.10 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 55.36 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 155.95 | J mol-1 K-1 |
| Rotational | 90.56 | J mol-1 K-1 |
| Vibrational | 16.84 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 263.35 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -184.75 | kJ mol-1 |
Molecular Orbitals
- 1 -552.07 eV View
- 2 -302.66 eV View
- 3 -300.82 eV View
- 4 -36.27 eV View
- 5 -26.20 eV View
- 6 -20.30 eV View
- 7 -16.65 eV View
- 8 -15.25 eV View
- 9 -14.89 eV View
- 10 -13.48 eV View
- 11 -11.29 eV View
- 12 -9.21 eV View
- 13 7.99 eV View
- 14 16.70 eV View
- 15 18.42 eV View
- 16 19.04 eV View
- 17 19.72 eV View
- 18 21.07 eV View
- 19 26.77 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 133.56 cm-1 View
- 2 526.96 cm-1 View
- 3 805.24 cm-1 View
- 4 966.51 cm-1 View
- 5 1051.72 cm-1 View
- 6 1130.70 cm-1 View
- 7 1214.32 cm-1 View
- 8 1378.79 cm-1 View
- 9 1393.16 cm-1 View
- 10 1400.47 cm-1 View
- 11 1984.01 cm-1 View
- 12 2935.81 cm-1 View
- 13 3081.87 cm-1 View
- 14 3090.92 cm-1 View
- 15 3180.90 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -8.18 | kJ mol-1 |
| Polar Solvation Energy | -16.20 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.03 | kJ mol-1 |
| Surface Area | 70.60 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.17 | Debye |