Benzene-1,3-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 | 299.07 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 308.99 | 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 | 85.20 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 118.46 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.37 | J mol-1 K-1 |
| Rotational | 117.29 | J mol-1 K-1 |
| Vibrational | 53.79 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 338.46 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -280.29 | kJ mol-1 |
Molecular Orbitals
- 1 -552.32 eV View
- 2 -552.32 eV View
- 3 -302.02 eV View
- 4 -302.02 eV View
- 5 -300.49 eV View
- 6 -299.74 eV View
- 7 -299.74 eV View
- 8 -299.67 eV View
- 9 -36.31 eV View
- 10 -36.24 eV View
- 11 -29.41 eV View
- 12 -25.98 eV View
- 13 -25.47 eV View
- 14 -21.14 eV View
- 15 -21.06 eV View
- 16 -18.09 eV View
- 17 -17.03 eV View
- 18 -16.96 eV View
- 19 -15.02 eV View
- 20 -14.86 eV View
- 21 -14.37 eV View
- 22 -13.87 eV View
- 23 -13.09 eV View
- 24 -12.62 eV View
- 25 -12.08 eV View
- 26 -11.23 eV View
- 27 -10.59 eV View
- 28 -7.15 eV View
- 29 -6.56 eV View
- 30 7.31 eV View
- 31 7.56 eV View
- 32 13.70 eV View
- 33 14.82 eV View
- 34 15.95 eV View
- 35 16.28 eV View
- 36 17.78 eV View
- 37 18.19 eV View
- 38 19.16 eV View
- 39 19.48 eV View
- 40 20.45 eV View
- 41 23.56 eV View
- 42 23.67 eV View
- 43 24.51 eV View
- 44 25.21 eV View
- 45 29.60 eV View
- 46 30.98 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 203.19 cm-1 View
- 2 204.57 cm-1 View
- 3 312.35 cm-1 View
- 4 313.06 cm-1 View
- 5 346.83 cm-1 View
- 6 416.44 cm-1 View
- 7 492.90 cm-1 View
- 8 528.47 cm-1 View
- 9 553.06 cm-1 View
- 10 591.62 cm-1 View
- 11 627.67 cm-1 View
- 12 795.09 cm-1 View
- 13 801.32 cm-1 View
- 14 892.02 cm-1 View
- 15 933.56 cm-1 View
- 16 988.72 cm-1 View
- 17 1053.06 cm-1 View
- 18 1082.58 cm-1 View
- 19 1124.96 cm-1 View
- 20 1156.57 cm-1 View
- 21 1203.20 cm-1 View
- 22 1248.80 cm-1 View
- 23 1297.17 cm-1 View
- 24 1311.85 cm-1 View
- 25 1432.06 cm-1 View
- 26 1479.61 cm-1 View
- 27 1616.08 cm-1 View
- 28 1627.28 cm-1 View
- 29 1785.19 cm-1 View
- 30 1798.72 cm-1 View
- 31 3053.10 cm-1 View
- 32 3063.70 cm-1 View
- 33 3069.98 cm-1 View
- 34 3074.91 cm-1 View
- 35 3887.16 cm-1 View
- 36 3887.24 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -5.25 | kJ mol-1 |
| Polar Solvation Energy | -19.73 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.46 | kJ mol-1 |
| Surface Area | 99.55 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.76 | Debye |