Benzene-1,2-diol
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 | 298.31 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 308.23 | 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 | 86.51 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 119.77 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.37 | J mol-1 K-1 |
| Rotational | 116.59 | J mol-1 K-1 |
| Vibrational | 58.35 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 342.32 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -264.12 | kJ mol-1 |
Molecular Orbitals
- 1 -552.22 eV View
- 2 -552.21 eV View
- 3 -301.78 eV View
- 4 -301.75 eV View
- 5 -300.10 eV View
- 6 -300.08 eV View
- 7 -300.05 eV View
- 8 -300.04 eV View
- 9 -36.42 eV View
- 10 -35.79 eV View
- 11 -29.46 eV View
- 12 -25.97 eV View
- 13 -25.47 eV View
- 14 -21.63 eV View
- 15 -20.48 eV View
- 16 -18.10 eV View
- 17 -17.41 eV View
- 18 -16.51 eV View
- 19 -15.10 eV View
- 20 -14.98 eV View
- 21 -14.54 eV View
- 22 -13.93 eV View
- 23 -12.56 eV View
- 24 -12.38 eV View
- 25 -11.66 eV View
- 26 -11.32 eV View
- 27 -11.01 eV View
- 28 -7.46 eV View
- 29 -6.13 eV View
- 30 7.24 eV View
- 31 7.56 eV View
- 32 13.70 eV View
- 33 14.53 eV View
- 34 16.03 eV View
- 35 16.57 eV View
- 36 17.16 eV View
- 37 19.03 eV View
- 38 19.39 eV View
- 39 19.58 eV View
- 40 19.84 eV View
- 41 23.33 eV View
- 42 24.15 eV View
- 43 24.51 eV View
- 44 24.79 eV View
- 45 29.55 eV View
- 46 31.08 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 144.52 cm-1 View
- 2 234.91 cm-1 View
- 3 259.09 cm-1 View
- 4 278.26 cm-1 View
- 5 319.50 cm-1 View
- 6 432.38 cm-1 View
- 7 472.10 cm-1 View
- 8 497.88 cm-1 View
- 9 528.09 cm-1 View
- 10 593.48 cm-1 View
- 11 709.03 cm-1 View
- 12 773.63 cm-1 View
- 13 856.91 cm-1 View
- 14 873.72 cm-1 View
- 15 909.17 cm-1 View
- 16 941.38 cm-1 View
- 17 993.81 cm-1 View
- 18 1108.63 cm-1 View
- 19 1117.32 cm-1 View
- 20 1152.85 cm-1 View
- 21 1189.50 cm-1 View
- 22 1240.45 cm-1 View
- 23 1297.80 cm-1 View
- 24 1397.56 cm-1 View
- 25 1436.90 cm-1 View
- 26 1443.01 cm-1 View
- 27 1586.82 cm-1 View
- 28 1647.16 cm-1 View
- 29 1787.28 cm-1 View
- 30 1793.09 cm-1 View
- 31 3050.77 cm-1 View
- 32 3052.64 cm-1 View
- 33 3063.80 cm-1 View
- 34 3077.85 cm-1 View
- 35 3882.45 cm-1 View
- 36 3890.35 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -9.75 | kJ mol-1 |
| Polar Solvation Energy | -22.91 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.17 | kJ mol-1 |
| Surface Area | 99.78 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.95 | Debye |