2-hydroxybenzaldehyde
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 | 313.86 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 323.77 | 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 | 93.10 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 126.36 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.66 | J mol-1 K-1 |
| Rotational | 120.44 | J mol-1 K-1 |
| Vibrational | 68.58 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 357.68 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -230.90 | kJ mol-1 |
Molecular Orbitals
- 1 -552.73 eV View
- 2 -552.24 eV View
- 3 -302.94 eV View
- 4 -302.38 eV View
- 5 -300.66 eV View
- 6 -300.65 eV View
- 7 -300.42 eV View
- 8 -300.19 eV View
- 9 -300.13 eV View
- 10 -36.72 eV View
- 11 -36.43 eV View
- 12 -29.94 eV View
- 13 -26.83 eV View
- 14 -25.99 eV View
- 15 -22.94 eV View
- 16 -21.03 eV View
- 17 -20.11 eV View
- 18 -18.70 eV View
- 19 -16.92 eV View
- 20 -16.80 eV View
- 21 -15.28 eV View
- 22 -15.05 eV View
- 23 -14.55 eV View
- 24 -14.52 eV View
- 25 -13.33 eV View
- 26 -12.73 eV View
- 27 -12.65 eV View
- 28 -11.74 eV View
- 29 -11.39 eV View
- 30 -9.32 eV View
- 31 -7.90 eV View
- 32 -6.91 eV View
- 33 5.55 eV View
- 34 7.22 eV View
- 35 9.35 eV View
- 36 13.84 eV View
- 37 14.16 eV View
- 38 16.00 eV View
- 39 16.63 eV View
- 40 17.17 eV View
- 41 18.38 eV View
- 42 19.16 eV View
- 43 19.99 eV View
- 44 20.63 eV View
- 45 22.93 eV View
- 46 23.35 eV View
- 47 24.39 eV View
- 48 24.73 eV View
- 49 26.86 eV View
- 50 30.00 eV View
- 51 30.79 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -12.27 | kJ mol-1 |
| Polar Solvation Energy | -21.97 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.70 | kJ mol-1 |
| Surface Area | 113.89 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.12 | Debye |