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 | 354.81 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 364.73 | 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 | 87.39 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 120.65 | 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 | 66.73 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 350.70 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -60.75 | 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 -18.01 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 17.68 eV View
- 37 18.20 eV View
- 38 18.85 eV View
- 39 19.25 eV View
- 40 19.58 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 25.25 eV View
- 47 29.72 eV View
- 48 31.25 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 55.93 cm-1 View
- 2 175.89 cm-1 View
- 3 225.37 cm-1 View
- 4 268.28 cm-1 View
- 5 359.55 cm-1 View
- 6 468.63 cm-1 View
- 7 473.11 cm-1 View
- 8 576.94 cm-1 View
- 9 627.31 cm-1 View
- 10 633.15 cm-1 View
- 11 773.91 cm-1 View
- 12 839.10 cm-1 View
- 13 842.47 cm-1 View
- 14 919.76 cm-1 View
- 15 970.89 cm-1 View
- 16 1004.92 cm-1 View
- 17 1009.02 cm-1 View
- 18 1029.08 cm-1 View
- 19 1083.83 cm-1 View
- 20 1108.63 cm-1 View
- 21 1129.32 cm-1 View
- 22 1155.34 cm-1 View
- 23 1170.53 cm-1 View
- 24 1174.10 cm-1 View
- 25 1235.58 cm-1 View
- 26 1311.56 cm-1 View
- 27 1355.86 cm-1 View
- 28 1365.36 cm-1 View
- 29 1379.68 cm-1 View
- 30 1389.71 cm-1 View
- 31 1554.14 cm-1 View
- 32 1590.22 cm-1 View
- 33 1780.75 cm-1 View
- 34 1789.74 cm-1 View
- 35 3045.04 cm-1 View
- 36 3053.89 cm-1 View
- 37 3056.30 cm-1 View
- 38 3064.96 cm-1 View
- 39 3069.80 cm-1 View
- 40 3076.86 cm-1 View
- 41 3081.04 cm-1 View
- 42 3145.10 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -0.08 | kJ mol-1 |
| Polar Solvation Energy | -9.42 | kJ mol-1 |
| Nonpolar Solvation Energy | 9.32 | kJ mol-1 |
| Surface Area | 109.57 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.37 | Debye |