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 | 312.44 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 322.35 | 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 | 95.02 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 128.28 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.66 | J mol-1 K-1 |
| Rotational | 120.40 | J mol-1 K-1 |
| Vibrational | 75.32 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 364.39 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -228.25 | kJ mol-1 |
Molecular Orbitals
- 1 -552.68 eV View
- 2 -551.72 eV View
- 3 -302.42 eV View
- 4 -302.34 eV View
- 5 -300.68 eV View
- 6 -300.57 eV View
- 7 -300.32 eV View
- 8 -300.26 eV View
- 9 -300.11 eV View
- 10 -36.66 eV View
- 11 -36.00 eV View
- 12 -29.90 eV View
- 13 -26.72 eV View
- 14 -25.96 eV View
- 15 -22.47 eV View
- 16 -21.28 eV View
- 17 -19.81 eV View
- 18 -18.24 eV View
- 19 -17.48 eV View
- 20 -16.00 eV View
- 21 -15.76 eV View
- 22 -14.97 eV View
- 23 -14.48 eV View
- 24 -14.09 eV View
- 25 -13.53 eV View
- 26 -12.35 eV View
- 27 -12.19 eV View
- 28 -11.92 eV View
- 29 -11.33 eV View
- 30 -8.91 eV View
- 31 -7.88 eV View
- 32 -6.88 eV View
- 33 5.78 eV View
- 34 7.21 eV View
- 35 9.55 eV View
- 36 13.88 eV View
- 37 14.80 eV View
- 38 15.86 eV View
- 39 16.60 eV View
- 40 17.85 eV View
- 41 18.60 eV View
- 42 19.09 eV View
- 43 19.57 eV View
- 44 20.51 eV View
- 45 22.76 eV View
- 46 23.71 eV View
- 47 24.23 eV View
- 48 24.37 eV View
- 49 27.02 eV View
- 50 30.08 eV View
- 51 30.81 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -15.20 | kJ mol-1 |
| Polar Solvation Energy | -22.09 | kJ mol-1 |
| Nonpolar Solvation Energy | 6.90 | kJ mol-1 |
| Surface Area | 115.74 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.99 | Debye |