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 | 311.94 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 321.86 | 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 | 95.83 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 129.08 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.66 | J mol-1 K-1 |
| Rotational | 119.95 | J mol-1 K-1 |
| Vibrational | 78.52 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 367.13 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -221.26 | kJ mol-1 |
Molecular Orbitals
- 1 -552.55 eV View
- 2 -552.09 eV View
- 3 -302.59 eV View
- 4 -302.27 eV View
- 5 -300.58 eV View
- 6 -300.54 eV View
- 7 -300.32 eV View
- 8 -300.24 eV View
- 9 -300.10 eV View
- 10 -36.56 eV View
- 11 -36.16 eV View
- 12 -29.90 eV View
- 13 -26.77 eV View
- 14 -25.90 eV View
- 15 -22.34 eV View
- 16 -21.52 eV View
- 17 -19.77 eV View
- 18 -18.23 eV View
- 19 -17.29 eV View
- 20 -16.42 eV View
- 21 -15.52 eV View
- 22 -15.10 eV View
- 23 -14.65 eV View
- 24 -14.06 eV View
- 25 -13.49 eV View
- 26 -12.61 eV View
- 27 -11.87 eV View
- 28 -11.66 eV View
- 29 -11.32 eV View
- 30 -9.00 eV View
- 31 -7.96 eV View
- 32 -6.87 eV View
- 33 6.37 eV View
- 34 7.21 eV View
- 35 8.70 eV View
- 36 13.41 eV View
- 37 14.86 eV View
- 38 15.97 eV View
- 39 16.96 eV View
- 40 17.41 eV View
- 41 19.09 eV View
- 42 19.38 eV View
- 43 19.60 eV View
- 44 20.28 eV View
- 45 23.36 eV View
- 46 23.80 eV View
- 47 24.13 eV View
- 48 24.48 eV View
- 49 26.83 eV View
- 50 29.73 eV View
- 51 30.86 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 54.34 cm-1 View
- 2 122.33 cm-1 View
- 3 217.15 cm-1 View
- 4 248.18 cm-1 View
- 5 300.46 cm-1 View
- 6 367.49 cm-1 View
- 7 433.48 cm-1 View
- 8 469.42 cm-1 View
- 9 487.38 cm-1 View
- 10 566.78 cm-1 View
- 11 623.40 cm-1 View
- 12 748.67 cm-1 View
- 13 777.75 cm-1 View
- 14 856.48 cm-1 View
- 15 884.08 cm-1 View
- 16 888.82 cm-1 View
- 17 947.53 cm-1 View
- 18 972.79 cm-1 View
- 19 1008.91 cm-1 View
- 20 1104.84 cm-1 View
- 21 1118.48 cm-1 View
- 22 1153.41 cm-1 View
- 23 1186.04 cm-1 View
- 24 1192.72 cm-1 View
- 25 1265.12 cm-1 View
- 26 1333.36 cm-1 View
- 27 1381.43 cm-1 View
- 28 1414.20 cm-1 View
- 29 1574.40 cm-1 View
- 30 1625.86 cm-1 View
- 31 1786.77 cm-1 View
- 32 1799.85 cm-1 View
- 33 1986.14 cm-1 View
- 34 2923.84 cm-1 View
- 35 3049.49 cm-1 View
- 36 3052.17 cm-1 View
- 37 3063.35 cm-1 View
- 38 3077.21 cm-1 View
- 39 3885.19 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -16.77 | kJ mol-1 |
| Polar Solvation Energy | -26.49 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.70 | kJ mol-1 |
| Surface Area | 118.36 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.08 | Debye |