Propanal
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 | 222.53 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 232.45 | 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 | 33.87 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 67.13 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.39 | J mol-1 K-1 |
| Rotational | 100.80 | J mol-1 K-1 |
| Vibrational | 21.24 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 281.44 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -200.97 | kJ mol-1 |
Molecular Orbitals
- 1 -552.02 eV View
- 2 -302.53 eV View
- 3 -300.95 eV View
- 4 -300.61 eV View
- 5 -36.26 eV View
- 6 -27.56 eV View
- 7 -23.27 eV View
- 8 -19.78 eV View
- 9 -17.08 eV View
- 10 -15.96 eV View
- 11 -14.51 eV View
- 12 -14.05 eV View
- 13 -13.27 eV View
- 14 -12.48 eV View
- 15 -11.16 eV View
- 16 -9.02 eV View
- 17 7.98 eV View
- 18 15.90 eV View
- 19 16.88 eV View
- 20 18.67 eV View
- 21 19.09 eV View
- 22 19.75 eV View
- 23 20.48 eV View
- 24 20.74 eV View
- 25 21.79 eV View
- 26 26.73 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 39.72 cm-1 View
- 2 180.44 cm-1 View
- 3 303.00 cm-1 View
- 4 562.33 cm-1 View
- 5 820.87 cm-1 View
- 6 908.91 cm-1 View
- 7 949.41 cm-1 View
- 8 1042.85 cm-1 View
- 9 1085.49 cm-1 View
- 10 1116.42 cm-1 View
- 11 1125.67 cm-1 View
- 12 1223.02 cm-1 View
- 13 1325.28 cm-1 View
- 14 1389.19 cm-1 View
- 15 1404.69 cm-1 View
- 16 1407.86 cm-1 View
- 17 1418.03 cm-1 View
- 18 1984.67 cm-1 View
- 19 2935.96 cm-1 View
- 20 2961.24 cm-1 View
- 21 3040.18 cm-1 View
- 22 3083.44 cm-1 View
- 23 3085.74 cm-1 View
- 24 3182.86 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -3.15 | kJ mol-1 |
| Polar Solvation Energy | -14.84 | kJ mol-1 |
| Nonpolar Solvation Energy | 11.66 | kJ mol-1 |
| Surface Area | 83.83 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.97 | Debye |