Benzaldehyde
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 | 294.84 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 304.76 | 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 | 76.83 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 110.09 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.91 | J mol-1 K-1 |
| Rotational | 116.62 | J mol-1 K-1 |
| Vibrational | 56.38 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 339.91 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -44.29 | kJ mol-1 |
Molecular Orbitals
- 1 -552.03 eV View
- 2 -302.61 eV View
- 3 -300.52 eV View
- 4 -300.50 eV View
- 5 -300.49 eV View
- 6 -300.49 eV View
- 7 -300.39 eV View
- 8 -300.38 eV View
- 9 -36.25 eV View
- 10 -30.10 eV View
- 11 -26.72 eV View
- 12 -26.30 eV View
- 13 -22.45 eV View
- 14 -21.24 eV View
- 15 -19.83 eV View
- 16 -18.04 eV View
- 17 -16.75 eV View
- 18 -15.72 eV View
- 19 -15.14 eV View
- 20 -14.76 eV View
- 21 -14.26 eV View
- 22 -13.38 eV View
- 23 -12.46 eV View
- 24 -11.97 eV View
- 25 -11.70 eV View
- 26 -9.15 eV View
- 27 -7.94 eV View
- 28 -7.68 eV View
- 29 5.70 eV View
- 30 7.09 eV View
- 31 9.50 eV View
- 32 13.89 eV View
- 33 15.34 eV View
- 34 16.56 eV View
- 35 17.22 eV View
- 36 18.38 eV View
- 37 19.30 eV View
- 38 19.52 eV View
- 39 20.27 eV View
- 40 22.95 eV View
- 41 23.74 eV View
- 42 23.87 eV View
- 43 24.30 eV View
- 44 27.06 eV View
- 45 30.17 eV View
- 46 30.98 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 69.55 cm-1 View
- 2 190.64 cm-1 View
- 3 246.21 cm-1 View
- 4 355.69 cm-1 View
- 5 439.03 cm-1 View
- 6 465.03 cm-1 View
- 7 625.87 cm-1 View
- 8 629.82 cm-1 View
- 9 647.92 cm-1 View
- 10 764.48 cm-1 View
- 11 851.48 cm-1 View
- 12 869.58 cm-1 View
- 13 918.00 cm-1 View
- 14 982.42 cm-1 View
- 15 988.17 cm-1 View
- 16 1027.28 cm-1 View
- 17 1042.12 cm-1 View
- 18 1104.42 cm-1 View
- 19 1113.56 cm-1 View
- 20 1153.66 cm-1 View
- 21 1157.12 cm-1 View
- 22 1207.49 cm-1 View
- 23 1231.57 cm-1 View
- 24 1321.69 cm-1 View
- 25 1352.84 cm-1 View
- 26 1541.33 cm-1 View
- 27 1593.02 cm-1 View
- 28 1782.42 cm-1 View
- 29 1794.91 cm-1 View
- 30 1973.56 cm-1 View
- 31 2923.09 cm-1 View
- 32 3045.74 cm-1 View
- 33 3047.38 cm-1 View
- 34 3057.07 cm-1 View
- 35 3066.89 cm-1 View
- 36 3077.70 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -6.80 | kJ mol-1 |
| Polar Solvation Energy | -15.97 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.20 | kJ mol-1 |
| Surface Area | 109.80 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.46 | Debye |