N,n-dihydroxyaniline
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 | 280.87 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 290.79 | 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 | 83.45 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 116.71 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.76 | J mol-1 K-1 |
| Rotational | 119.66 | J mol-1 K-1 |
| Vibrational | 69.74 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 358.16 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 60.78 | kJ mol-1 |
Molecular Orbitals
- 1 -551.10 eV View
- 2 -551.10 eV View
- 3 -426.08 eV View
- 4 -302.28 eV View
- 5 -301.36 eV View
- 6 -301.36 eV View
- 7 -301.17 eV View
- 8 -301.03 eV View
- 9 -301.02 eV View
- 10 -41.42 eV View
- 11 -35.14 eV View
- 12 -30.88 eV View
- 13 -27.79 eV View
- 14 -26.94 eV View
- 15 -24.06 eV View
- 16 -21.78 eV View
- 17 -20.53 eV View
- 18 -18.71 eV View
- 19 -17.57 eV View
- 20 -17.42 eV View
- 21 -16.69 eV View
- 22 -16.11 eV View
- 23 -15.37 eV View
- 24 -15.33 eV View
- 25 -13.35 eV View
- 26 -13.27 eV View
- 27 -12.61 eV View
- 28 -9.47 eV View
- 29 -9.44 eV View
- 30 -8.63 eV View
- 31 -8.55 eV View
- 32 -7.53 eV View
- 33 4.91 eV View
- 34 6.48 eV View
- 35 7.82 eV View
- 36 12.69 eV View
- 37 12.94 eV View
- 38 15.55 eV View
- 39 16.42 eV View
- 40 17.58 eV View
- 41 18.78 eV View
- 42 18.86 eV View
- 43 21.54 eV View
- 44 21.65 eV View
- 45 22.62 eV View
- 46 22.93 eV View
- 47 23.54 eV View
- 48 25.37 eV View
- 49 29.00 eV View
- 50 30.03 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 27.61 cm-1 View
- 2 154.26 cm-1 View
- 3 247.05 cm-1 View
- 4 352.02 cm-1 View
- 5 407.72 cm-1 View
- 6 417.41 cm-1 View
- 7 521.76 cm-1 View
- 8 607.81 cm-1 View
- 9 629.34 cm-1 View
- 10 670.75 cm-1 View
- 11 728.49 cm-1 View
- 12 814.35 cm-1 View
- 13 837.21 cm-1 View
- 14 853.98 cm-1 View
- 15 963.68 cm-1 View
- 16 988.71 cm-1 View
- 17 1031.14 cm-1 View
- 18 1031.52 cm-1 View
- 19 1108.30 cm-1 View
- 20 1113.82 cm-1 View
- 21 1156.62 cm-1 View
- 22 1181.73 cm-1 View
- 23 1239.79 cm-1 View
- 24 1297.06 cm-1 View
- 25 1327.39 cm-1 View
- 26 1545.83 cm-1 View
- 27 1559.80 cm-1 View
- 28 1605.41 cm-1 View
- 29 1774.09 cm-1 View
- 30 1785.30 cm-1 View
- 31 1893.26 cm-1 View
- 32 3028.60 cm-1 View
- 33 3031.21 cm-1 View
- 34 3052.40 cm-1 View
- 35 3061.68 cm-1 View
- 36 3073.06 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -23.13 | kJ mol-1 |
| Polar Solvation Energy | -32.94 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.78 | kJ mol-1 |
| Surface Area | 118.13 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 6.24 | Debye |