1,4-dimethoxybenzene
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 | 445.77 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 455.69 | 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 | 126.24 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 159.50 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.20 | J mol-1 K-1 |
| Rotational | 123.56 | J mol-1 K-1 |
| Vibrational | 119.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 413.33 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -216.90 | kJ mol-1 |
Molecular Orbitals
- 1 -552.08 eV View
- 2 -552.08 eV View
- 3 -302.07 eV View
- 4 -302.07 eV View
- 5 -301.54 eV View
- 6 -301.54 eV View
- 7 -300.06 eV View
- 8 -300.06 eV View
- 9 -300.04 eV View
- 10 -300.04 eV View
- 11 -36.11 eV View
- 12 -36.07 eV View
- 13 -29.48 eV View
- 14 -26.28 eV View
- 15 -25.91 eV View
- 16 -24.56 eV View
- 17 -23.34 eV View
- 18 -21.20 eV View
- 19 -20.00 eV View
- 20 -18.00 eV View
- 21 -16.80 eV View
- 22 -16.51 eV View
- 23 -16.31 eV View
- 24 -16.21 eV View
- 25 -15.63 eV View
- 26 -14.94 eV View
- 27 -14.57 eV View
- 28 -13.56 eV View
- 29 -13.47 eV View
- 30 -13.18 eV View
- 31 -12.05 eV View
- 32 -11.63 eV View
- 33 -10.95 eV View
- 34 -10.53 eV View
- 35 -9.58 eV View
- 36 -7.89 eV View
- 37 -5.86 eV View
- 38 7.19 eV View
- 39 7.68 eV View
- 40 13.75 eV View
- 41 14.42 eV View
- 42 14.85 eV View
- 43 16.73 eV View
- 44 16.79 eV View
- 45 17.83 eV View
- 46 18.08 eV View
- 47 18.28 eV View
- 48 18.91 eV View
- 49 18.91 eV View
- 50 19.12 eV View
- 51 19.54 eV View
- 52 19.60 eV View
- 53 20.33 eV View
- 54 21.31 eV View
- 55 23.37 eV View
- 56 24.40 eV View
- 57 24.53 eV View
- 58 25.29 eV View
- 59 29.77 eV View
- 60 31.06 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 36.26 cm-1 View
- 2 49.40 cm-1 View
- 3 120.68 cm-1 View
- 4 200.02 cm-1 View
- 5 206.15 cm-1 View
- 6 212.92 cm-1 View
- 7 291.76 cm-1 View
- 8 333.85 cm-1 View
- 9 361.10 cm-1 View
- 10 410.47 cm-1 View
- 11 509.91 cm-1 View
- 12 512.68 cm-1 View
- 13 593.64 cm-1 View
- 14 642.04 cm-1 View
- 15 660.61 cm-1 View
- 16 746.57 cm-1 View
- 17 832.18 cm-1 View
- 18 859.99 cm-1 View
- 19 944.49 cm-1 View
- 20 961.68 cm-1 View
- 21 972.67 cm-1 View
- 22 1005.59 cm-1 View
- 23 1005.86 cm-1 View
- 24 1045.84 cm-1 View
- 25 1091.54 cm-1 View
- 26 1105.82 cm-1 View
- 27 1142.39 cm-1 View
- 28 1166.84 cm-1 View
- 29 1172.18 cm-1 View
- 30 1184.71 cm-1 View
- 31 1243.77 cm-1 View
- 32 1268.67 cm-1 View
- 33 1338.23 cm-1 View
- 34 1356.48 cm-1 View
- 35 1356.67 cm-1 View
- 36 1367.27 cm-1 View
- 37 1367.47 cm-1 View
- 38 1381.43 cm-1 View
- 39 1383.44 cm-1 View
- 40 1460.75 cm-1 View
- 41 1560.35 cm-1 View
- 42 1613.10 cm-1 View
- 43 1777.30 cm-1 View
- 44 1798.40 cm-1 View
- 45 3044.67 cm-1 View
- 46 3045.05 cm-1 View
- 47 3051.66 cm-1 View
- 48 3052.69 cm-1 View
- 49 3065.75 cm-1 View
- 50 3069.04 cm-1 View
- 51 3076.73 cm-1 View
- 52 3077.11 cm-1 View
- 53 3145.96 cm-1 View
- 54 3146.36 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.37 | kJ mol-1 |
| Polar Solvation Energy | -14.17 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.50 | kJ mol-1 |
| Surface Area | 135.10 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.02 | Debye |