Methoxybenzene
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 | 354.86 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 364.77 | 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 | 87.33 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 120.58 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.15 | J mol-1 K-1 |
| Rotational | 116.82 | J mol-1 K-1 |
| Vibrational | 66.47 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 350.44 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -60.82 | kJ mol-1 |
Molecular Orbitals
- 1 -552.24 eV View
- 2 -302.14 eV View
- 3 -301.78 eV View
- 4 -300.23 eV View
- 5 -300.18 eV View
- 6 -299.93 eV View
- 7 -299.89 eV View
- 8 -299.84 eV View
- 9 -36.22 eV View
- 10 -29.58 eV View
- 11 -26.15 eV View
- 12 -25.94 eV View
- 13 -24.05 eV View
- 14 -21.01 eV View
- 15 -20.31 eV View
- 16 -18.00 eV View
- 17 -16.37 eV View
- 18 -16.33 eV View
- 19 -16.06 eV View
- 20 -15.39 eV View
- 21 -14.52 eV View
- 22 -13.89 eV View
- 23 -12.97 eV View
- 24 -12.48 eV View
- 25 -11.90 eV View
- 26 -10.73 eV View
- 27 -10.68 eV View
- 28 -7.76 eV View
- 29 -6.59 eV View
- 30 7.29 eV View
- 31 7.53 eV View
- 32 13.78 eV View
- 33 14.52 eV View
- 34 16.06 eV View
- 35 17.09 eV View
- 36 17.69 eV View
- 37 18.20 eV View
- 38 18.85 eV View
- 39 19.25 eV View
- 40 19.57 eV View
- 41 19.81 eV View
- 42 21.00 eV View
- 43 23.56 eV View
- 44 23.95 eV View
- 45 24.51 eV View
- 46 25.26 eV View
- 47 29.72 eV View
- 48 31.25 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 55.84 cm-1 View
- 2 178.66 cm-1 View
- 3 228.68 cm-1 View
- 4 269.11 cm-1 View
- 5 360.09 cm-1 View
- 6 468.74 cm-1 View
- 7 473.48 cm-1 View
- 8 576.84 cm-1 View
- 9 627.28 cm-1 View
- 10 633.36 cm-1 View
- 11 773.77 cm-1 View
- 12 839.23 cm-1 View
- 13 842.53 cm-1 View
- 14 919.85 cm-1 View
- 15 971.02 cm-1 View
- 16 1005.07 cm-1 View
- 17 1009.30 cm-1 View
- 18 1029.22 cm-1 View
- 19 1084.30 cm-1 View
- 20 1108.91 cm-1 View
- 21 1129.46 cm-1 View
- 22 1155.57 cm-1 View
- 23 1171.17 cm-1 View
- 24 1174.62 cm-1 View
- 25 1236.18 cm-1 View
- 26 1310.42 cm-1 View
- 27 1356.32 cm-1 View
- 28 1366.13 cm-1 View
- 29 1380.06 cm-1 View
- 30 1389.94 cm-1 View
- 31 1554.14 cm-1 View
- 32 1590.28 cm-1 View
- 33 1780.72 cm-1 View
- 34 1789.74 cm-1 View
- 35 3044.77 cm-1 View
- 36 3054.12 cm-1 View
- 37 3056.41 cm-1 View
- 38 3065.30 cm-1 View
- 39 3069.83 cm-1 View
- 40 3076.56 cm-1 View
- 41 3081.33 cm-1 View
- 42 3145.20 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 1.22 | kJ mol-1 |
| Polar Solvation Energy | -9.57 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.78 | kJ mol-1 |
| Surface Area | 112.50 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.38 | Debye |