Butanal
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 | 301.42 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 311.33 | 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 | 62.01 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 95.27 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.09 | J mol-1 K-1 |
| Rotational | 107.61 | J mol-1 K-1 |
| Vibrational | 57.56 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 327.26 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -222.41 | kJ mol-1 |
Molecular Orbitals
- 1 -551.97 eV View
- 2 -302.52 eV View
- 3 -300.85 eV View
- 4 -300.71 eV View
- 5 -300.32 eV View
- 6 -36.22 eV View
- 7 -28.14 eV View
- 8 -25.14 eV View
- 9 -21.88 eV View
- 10 -19.35 eV View
- 11 -17.23 eV View
- 12 -16.08 eV View
- 13 -15.14 eV View
- 14 -14.69 eV View
- 15 -13.82 eV View
- 16 -12.68 eV View
- 17 -12.32 eV View
- 18 -11.96 eV View
- 19 -11.03 eV View
- 20 -9.00 eV View
- 21 8.09 eV View
- 22 15.65 eV View
- 23 16.49 eV View
- 24 17.42 eV View
- 25 18.20 eV View
- 26 18.74 eV View
- 27 19.98 eV View
- 28 20.28 eV View
- 29 20.75 eV View
- 30 21.18 eV View
- 31 21.26 eV View
- 32 22.07 eV View
- 33 27.00 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 72.72 cm-1 View
- 2 110.75 cm-1 View
- 3 179.41 cm-1 View
- 4 280.80 cm-1 View
- 5 405.41 cm-1 View
- 6 640.40 cm-1 View
- 7 751.63 cm-1 View
- 8 833.40 cm-1 View
- 9 924.50 cm-1 View
- 10 977.15 cm-1 View
- 11 1007.47 cm-1 View
- 12 1052.86 cm-1 View
- 13 1062.64 cm-1 View
- 14 1129.45 cm-1 View
- 15 1142.46 cm-1 View
- 16 1159.02 cm-1 View
- 17 1226.71 cm-1 View
- 18 1300.88 cm-1 View
- 19 1356.17 cm-1 View
- 20 1382.07 cm-1 View
- 21 1407.81 cm-1 View
- 22 1409.38 cm-1 View
- 23 1410.47 cm-1 View
- 24 1425.39 cm-1 View
- 25 1983.95 cm-1 View
- 26 2926.63 cm-1 View
- 27 2947.11 cm-1 View
- 28 2955.76 cm-1 View
- 29 3026.69 cm-1 View
- 30 3035.42 cm-1 View
- 31 3079.63 cm-1 View
- 32 3085.27 cm-1 View
- 33 3182.21 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -0.19 | kJ mol-1 |
| Polar Solvation Energy | -14.94 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.76 | kJ mol-1 |
| Surface Area | 88.69 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.09 | Debye |