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 | 298.30 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 308.21 | 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 | 86.75 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 120.01 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.37 | J mol-1 K-1 |
| Rotational | 116.63 | J mol-1 K-1 |
| Vibrational | 59.51 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 343.52 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -271.79 | kJ mol-1 |
Molecular Orbitals
- 1 -552.38 eV View
- 2 -552.09 eV View
- 3 -301.75 eV View
- 4 -301.72 eV View
- 5 -300.18 eV View
- 6 -300.04 eV View
- 7 -299.99 eV View
- 8 -299.98 eV View
- 9 -36.59 eV View
- 10 -35.80 eV View
- 11 -29.45 eV View
- 12 -25.94 eV View
- 13 -25.47 eV View
- 14 -21.48 eV View
- 15 -20.68 eV View
- 16 -18.06 eV View
- 17 -17.68 eV View
- 18 -16.09 eV View
- 19 -15.57 eV View
- 20 -14.75 eV View
- 21 -14.62 eV View
- 22 -13.46 eV View
- 23 -13.01 eV View
- 24 -12.53 eV View
- 25 -11.80 eV View
- 26 -11.31 eV View
- 27 -11.00 eV View
- 28 -7.39 eV View
- 29 -6.22 eV View
- 30 7.27 eV View
- 31 7.56 eV View
- 32 13.72 eV View
- 33 14.26 eV View
- 34 15.96 eV View
- 35 16.86 eV View
- 36 17.53 eV View
- 37 18.48 eV View
- 38 19.12 eV View
- 39 19.77 eV View
- 40 20.31 eV View
- 41 23.55 eV View
- 42 23.87 eV View
- 43 24.57 eV View
- 44 24.84 eV View
- 45 29.62 eV View
- 46 31.02 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 150.61 cm-1 View
- 2 200.96 cm-1 View
- 3 250.30 cm-1 View
- 4 270.35 cm-1 View
- 5 329.15 cm-1 View
- 6 433.07 cm-1 View
- 7 462.63 cm-1 View
- 8 494.15 cm-1 View
- 9 539.47 cm-1 View
- 10 591.96 cm-1 View
- 11 701.68 cm-1 View
- 12 777.25 cm-1 View
- 13 858.37 cm-1 View
- 14 879.95 cm-1 View
- 15 903.06 cm-1 View
- 16 949.64 cm-1 View
- 17 997.26 cm-1 View
- 18 1108.88 cm-1 View
- 19 1116.92 cm-1 View
- 20 1153.36 cm-1 View
- 21 1194.32 cm-1 View
- 22 1236.41 cm-1 View
- 23 1311.22 cm-1 View
- 24 1374.90 cm-1 View
- 25 1419.57 cm-1 View
- 26 1445.53 cm-1 View
- 27 1593.33 cm-1 View
- 28 1642.65 cm-1 View
- 29 1789.43 cm-1 View
- 30 1791.97 cm-1 View
- 31 3052.46 cm-1 View
- 32 3057.29 cm-1 View
- 33 3066.44 cm-1 View
- 34 3078.38 cm-1 View
- 35 3891.37 cm-1 View
- 36 3892.81 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -8.24 | kJ mol-1 |
| Polar Solvation Energy | -15.55 | kJ mol-1 |
| Nonpolar Solvation Energy | 7.31 | kJ mol-1 |
| Surface Area | 107.79 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.54 | Debye |