2-hydroxybenzoic acid
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 | 332.28 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 342.19 | 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 | 107.59 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 140.85 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.20 | J mol-1 K-1 |
| Rotational | 122.79 | J mol-1 K-1 |
| Vibrational | 82.65 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 375.64 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -471.03 | kJ mol-1 |
Molecular Orbitals
- 1 -552.63 eV View
- 2 -552.09 eV View
- 3 -551.11 eV View
- 4 -304.27 eV View
- 5 -302.44 eV View
- 6 -300.75 eV View
- 7 -300.67 eV View
- 8 -300.56 eV View
- 9 -300.12 eV View
- 10 -300.07 eV View
- 11 -38.11 eV View
- 12 -36.27 eV View
- 13 -34.75 eV View
- 14 -29.94 eV View
- 15 -26.90 eV View
- 16 -25.94 eV View
- 17 -22.82 eV View
- 18 -21.03 eV View
- 19 -20.18 eV View
- 20 -18.44 eV View
- 21 -17.26 eV View
- 22 -16.85 eV View
- 23 -15.84 eV View
- 24 -15.36 eV View
- 25 -15.10 eV View
- 26 -15.02 eV View
- 27 -13.85 eV View
- 28 -13.54 eV View
- 29 -13.07 eV View
- 30 -12.34 eV View
- 31 -11.45 eV View
- 32 -11.21 eV View
- 33 -10.01 eV View
- 34 -9.52 eV View
- 35 -7.97 eV View
- 36 -6.78 eV View
- 37 5.69 eV View
- 38 7.28 eV View
- 39 9.56 eV View
- 40 13.71 eV View
- 41 14.76 eV View
- 42 15.01 eV View
- 43 16.59 eV View
- 44 17.52 eV View
- 45 18.09 eV View
- 46 18.69 eV View
- 47 19.28 eV View
- 48 20.06 eV View
- 49 21.13 eV View
- 50 22.68 eV View
- 51 23.40 eV View
- 52 24.55 eV View
- 53 24.72 eV View
- 54 27.22 eV View
- 55 29.89 eV View
- 56 30.85 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 52.64 cm-1 View
- 2 120.55 cm-1 View
- 3 227.13 cm-1 View
- 4 271.46 cm-1 View
- 5 367.01 cm-1 View
- 6 391.51 cm-1 View
- 7 446.43 cm-1 View
- 8 465.87 cm-1 View
- 9 485.87 cm-1 View
- 10 501.74 cm-1 View
- 11 511.20 cm-1 View
- 12 576.41 cm-1 View
- 13 600.98 cm-1 View
- 14 643.53 cm-1 View
- 15 767.52 cm-1 View
- 16 791.62 cm-1 View
- 17 803.52 cm-1 View
- 18 881.38 cm-1 View
- 19 900.00 cm-1 View
- 20 970.14 cm-1 View
- 21 1013.39 cm-1 View
- 22 1106.88 cm-1 View
- 23 1118.65 cm-1 View
- 24 1157.67 cm-1 View
- 25 1201.00 cm-1 View
- 26 1218.26 cm-1 View
- 27 1231.11 cm-1 View
- 28 1307.52 cm-1 View
- 29 1403.78 cm-1 View
- 30 1433.54 cm-1 View
- 31 1517.27 cm-1 View
- 32 1604.37 cm-1 View
- 33 1615.51 cm-1 View
- 34 1776.99 cm-1 View
- 35 1798.53 cm-1 View
- 36 1985.56 cm-1 View
- 37 3043.14 cm-1 View
- 38 3053.07 cm-1 View
- 39 3065.59 cm-1 View
- 40 3076.20 cm-1 View
- 41 3821.96 cm-1 View
- 42 3850.16 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -12.26 | kJ mol-1 |
| Polar Solvation Energy | -20.75 | kJ mol-1 |
| Nonpolar Solvation Energy | 8.53 | kJ mol-1 |
| Surface Area | 118.88 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.36 | Debye |