2-methoxyphenol
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 | 369.30 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 379.22 | 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 | 98.44 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 131.70 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.87 | J mol-1 K-1 |
| Rotational | 120.57 | J mol-1 K-1 |
| Vibrational | 68.30 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 357.74 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -240.86 | kJ mol-1 |
Molecular Orbitals
- 1 -552.35 eV View
- 2 -552.05 eV View
- 3 -302.36 eV View
- 4 -301.69 eV View
- 5 -301.64 eV View
- 6 -300.11 eV View
- 7 -299.97 eV View
- 8 -299.95 eV View
- 9 -299.91 eV View
- 10 -36.59 eV View
- 11 -35.78 eV View
- 12 -29.45 eV View
- 13 -26.08 eV View
- 14 -25.78 eV View
- 15 -24.20 eV View
- 16 -20.85 eV View
- 17 -20.63 eV View
- 18 -18.18 eV View
- 19 -17.17 eV View
- 20 -16.56 eV View
- 21 -16.45 eV View
- 22 -15.42 eV View
- 23 -15.02 eV View
- 24 -14.20 eV View
- 25 -13.99 eV View
- 26 -12.95 eV View
- 27 -12.83 eV View
- 28 -11.74 eV View
- 29 -11.40 eV View
- 30 -10.94 eV View
- 31 -10.71 eV View
- 32 -7.34 eV View
- 33 -6.15 eV View
- 34 7.34 eV View
- 35 7.56 eV View
- 36 13.76 eV View
- 37 13.80 eV View
- 38 15.95 eV View
- 39 16.66 eV View
- 40 17.27 eV View
- 41 17.68 eV View
- 42 18.55 eV View
- 43 18.68 eV View
- 44 18.90 eV View
- 45 19.53 eV View
- 46 20.22 eV View
- 47 20.88 eV View
- 48 23.54 eV View
- 49 23.86 eV View
- 50 24.82 eV View
- 51 25.03 eV View
- 52 29.69 eV View
- 53 31.08 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 14.11 cm-1 View
- 2 140.13 cm-1 View
- 3 204.45 cm-1 View
- 4 223.39 cm-1 View
- 5 233.30 cm-1 View
- 6 272.95 cm-1 View
- 7 367.38 cm-1 View
- 8 430.98 cm-1 View
- 9 492.95 cm-1 View
- 10 503.95 cm-1 View
- 11 551.46 cm-1 View
- 12 597.15 cm-1 View
- 13 701.71 cm-1 View
- 14 776.03 cm-1 View
- 15 837.49 cm-1 View
- 16 878.63 cm-1 View
- 17 886.56 cm-1 View
- 18 946.93 cm-1 View
- 19 996.17 cm-1 View
- 20 1004.83 cm-1 View
- 21 1096.04 cm-1 View
- 22 1112.63 cm-1 View
- 23 1118.59 cm-1 View
- 24 1157.31 cm-1 View
- 25 1172.08 cm-1 View
- 26 1211.72 cm-1 View
- 27 1283.95 cm-1 View
- 28 1316.66 cm-1 View
- 29 1353.72 cm-1 View
- 30 1364.89 cm-1 View
- 31 1371.30 cm-1 View
- 32 1382.01 cm-1 View
- 33 1438.86 cm-1 View
- 34 1587.41 cm-1 View
- 35 1626.48 cm-1 View
- 36 1780.74 cm-1 View
- 37 1790.57 cm-1 View
- 38 3045.95 cm-1 View
- 39 3051.93 cm-1 View
- 40 3057.52 cm-1 View
- 41 3066.04 cm-1 View
- 42 3076.51 cm-1 View
- 43 3078.41 cm-1 View
- 44 3144.02 cm-1 View
- 45 3891.85 cm-1 View
Jmol._Canvas2D (JSmol) "jmol_vib"[x]
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -2.31 | kJ mol-1 |
| Polar Solvation Energy | -12.90 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.62 | kJ mol-1 |
| Surface Area | 118.98 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.63 | Debye |
Jmol._Canvas2D (JSmol) "jmol_solvation"[x]