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 | 56.67 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 340.20 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -44.50 | kJ mol-1 |
Molecular Orbitals
- 1 -552.02 eV View
- 2 -302.61 eV View
- 3 -300.52 eV View
- 4 -300.50 eV View
- 5 -300.50 eV View
- 6 -300.49 eV View
- 7 -300.39 eV View
- 8 -300.38 eV View
- 9 -36.24 eV View
- 10 -30.10 eV View
- 11 -26.72 eV View
- 12 -26.30 eV View
- 13 -22.45 eV View
- 14 -21.25 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 -14.23 eV View
- 22 -13.42 eV View
- 23 -12.46 eV View
- 24 -11.95 eV View
- 25 -11.71 eV View
- 26 -9.15 eV View
- 27 -7.94 eV View
- 28 -7.67 eV View
- 29 5.68 eV View
- 30 7.09 eV View
- 31 9.54 eV View
- 32 13.93 eV View
- 33 15.34 eV View
- 34 16.52 eV View
- 35 17.22 eV View
- 36 18.37 eV View
- 37 19.29 eV View
- 38 19.51 eV View
- 39 20.27 eV View
- 40 22.92 eV View
- 41 23.74 eV View
- 42 23.87 eV View
- 43 24.30 eV View
- 44 27.07 eV View
- 45 30.19 eV View
- 46 30.97 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 67.08 cm-1 View
- 2 191.90 cm-1 View
- 3 243.24 cm-1 View
- 4 356.92 cm-1 View
- 5 443.82 cm-1 View
- 6 461.63 cm-1 View
- 7 627.23 cm-1 View
- 8 635.32 cm-1 View
- 9 640.55 cm-1 View
- 10 763.22 cm-1 View
- 11 851.38 cm-1 View
- 12 869.57 cm-1 View
- 13 917.38 cm-1 View
- 14 982.81 cm-1 View
- 15 988.55 cm-1 View
- 16 1028.00 cm-1 View
- 17 1042.13 cm-1 View
- 18 1104.89 cm-1 View
- 19 1113.81 cm-1 View
- 20 1154.03 cm-1 View
- 21 1157.63 cm-1 View
- 22 1208.82 cm-1 View
- 23 1232.23 cm-1 View
- 24 1320.99 cm-1 View
- 25 1352.62 cm-1 View
- 26 1541.51 cm-1 View
- 27 1592.80 cm-1 View
- 28 1782.45 cm-1 View
- 29 1794.82 cm-1 View
- 30 1973.09 cm-1 View
- 31 2922.19 cm-1 View
- 32 3045.24 cm-1 View
- 33 3046.95 cm-1 View
- 34 3057.02 cm-1 View
- 35 3066.87 cm-1 View
- 36 3077.69 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 3.42 | kJ mol-1 |
| Polar Solvation Energy | -15.70 | kJ mol-1 |
| Nonpolar Solvation Energy | 19.14 | kJ mol-1 |
| Surface Area | 98.20 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.48 | Debye |