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 | 314.32 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 324.24 | 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 | 90.17 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 123.43 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.66 | J mol-1 K-1 |
| Rotational | 119.58 | J mol-1 K-1 |
| Vibrational | 60.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 348.52 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -243.83 | kJ mol-1 |
Molecular Orbitals
- 1 -552.20 eV View
- 2 -552.08 eV View
- 3 -303.10 eV View
- 4 -302.36 eV View
- 5 -300.69 eV View
- 6 -300.64 eV View
- 7 -300.30 eV View
- 8 -300.09 eV View
- 9 -300.06 eV View
- 10 -36.86 eV View
- 11 -36.03 eV View
- 12 -29.90 eV View
- 13 -26.85 eV View
- 14 -25.89 eV View
- 15 -22.59 eV View
- 16 -21.28 eV View
- 17 -20.40 eV View
- 18 -17.96 eV View
- 19 -17.55 eV View
- 20 -16.07 eV View
- 21 -15.80 eV View
- 22 -15.06 eV View
- 23 -14.51 eV View
- 24 -14.39 eV View
- 25 -13.16 eV View
- 26 -12.77 eV View
- 27 -12.54 eV View
- 28 -11.60 eV View
- 29 -11.30 eV View
- 30 -9.31 eV View
- 31 -7.94 eV View
- 32 -6.70 eV View
- 33 5.43 eV View
- 34 7.30 eV View
- 35 9.19 eV View
- 36 13.78 eV View
- 37 15.04 eV View
- 38 16.14 eV View
- 39 17.09 eV View
- 40 17.49 eV View
- 41 18.78 eV View
- 42 19.29 eV View
- 43 19.68 eV View
- 44 20.19 eV View
- 45 22.88 eV View
- 46 23.59 eV View
- 47 24.05 eV View
- 48 24.72 eV View
- 49 26.62 eV View
- 50 29.89 eV View
- 51 30.88 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 118.51 cm-1 View
- 2 169.21 cm-1 View
- 3 261.79 cm-1 View
- 4 340.78 cm-1 View
- 5 421.40 cm-1 View
- 6 440.87 cm-1 View
- 7 485.54 cm-1 View
- 8 519.51 cm-1 View
- 9 562.14 cm-1 View
- 10 575.78 cm-1 View
- 11 672.65 cm-1 View
- 12 713.15 cm-1 View
- 13 779.57 cm-1 View
- 14 873.25 cm-1 View
- 15 886.47 cm-1 View
- 16 892.31 cm-1 View
- 17 954.57 cm-1 View
- 18 988.30 cm-1 View
- 19 1014.53 cm-1 View
- 20 1104.56 cm-1 View
- 21 1121.00 cm-1 View
- 22 1156.19 cm-1 View
- 23 1188.77 cm-1 View
- 24 1213.20 cm-1 View
- 25 1304.77 cm-1 View
- 26 1360.79 cm-1 View
- 27 1420.12 cm-1 View
- 28 1522.96 cm-1 View
- 29 1599.95 cm-1 View
- 30 1608.19 cm-1 View
- 31 1774.22 cm-1 View
- 32 1802.54 cm-1 View
- 33 1929.05 cm-1 View
- 34 2946.36 cm-1 View
- 35 3045.39 cm-1 View
- 36 3053.39 cm-1 View
- 37 3067.66 cm-1 View
- 38 3077.31 cm-1 View
- 39 3713.33 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -9.60 | kJ mol-1 |
| Polar Solvation Energy | -16.18 | kJ mol-1 |
| Nonpolar Solvation Energy | 6.56 | kJ mol-1 |
| Surface Area | 114.07 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.57 | Debye |