(3-methylphenyl)methanol
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 | 375.51 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 385.42 | 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 | 103.81 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 137.07 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.46 | J mol-1 K-1 |
| Rotational | 120.88 | J mol-1 K-1 |
| Vibrational | 97.27 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 386.61 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 100.38 | kJ mol-1 |
Molecular Orbitals
- 1 -553.56 eV View
- 2 -300.49 eV View
- 3 -300.27 eV View
- 4 -300.26 eV View
- 5 -300.19 eV View
- 6 -300.12 eV View
- 7 -300.06 eV View
- 8 -299.58 eV View
- 9 -298.74 eV View
- 10 -37.40 eV View
- 11 -29.93 eV View
- 12 -27.12 eV View
- 13 -26.28 eV View
- 14 -24.02 eV View
- 15 -22.37 eV View
- 16 -20.52 eV View
- 17 -19.48 eV View
- 18 -17.40 eV View
- 19 -16.24 eV View
- 20 -15.44 eV View
- 21 -15.21 eV View
- 22 -14.79 eV View
- 23 -14.43 eV View
- 24 -14.00 eV View
- 25 -13.41 eV View
- 26 -13.39 eV View
- 27 -11.91 eV View
- 28 -11.80 eV View
- 29 -11.43 eV View
- 30 -7.70 eV View
- 31 -7.33 eV View
- 32 -6.44 eV View
- 33 5.64 eV View
- 34 7.42 eV View
- 35 10.09 eV View
- 36 14.25 eV View
- 37 15.71 eV View
- 38 16.32 eV View
- 39 17.32 eV View
- 40 17.70 eV View
- 41 18.65 eV View
- 42 19.57 eV View
- 43 19.68 eV View
- 44 19.68 eV View
- 45 20.16 eV View
- 46 21.25 eV View
- 47 22.35 eV View
- 48 24.00 eV View
- 49 24.13 eV View
- 50 25.39 eV View
- 51 26.31 eV View
- 52 30.26 eV View
- 53 31.29 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 33.74 cm-1 View
- 2 58.30 cm-1 View
- 3 190.88 cm-1 View
- 4 192.91 cm-1 View
- 5 208.00 cm-1 View
- 6 350.06 cm-1 View
- 7 393.33 cm-1 View
- 8 460.09 cm-1 View
- 9 508.16 cm-1 View
- 10 535.39 cm-1 View
- 11 625.53 cm-1 View
- 12 626.90 cm-1 View
- 13 708.78 cm-1 View
- 14 793.10 cm-1 View
- 15 811.57 cm-1 View
- 16 917.47 cm-1 View
- 17 949.23 cm-1 View
- 18 989.95 cm-1 View
- 19 995.38 cm-1 View
- 20 1034.47 cm-1 View
- 21 1036.85 cm-1 View
- 22 1077.92 cm-1 View
- 23 1121.65 cm-1 View
- 24 1151.35 cm-1 View
- 25 1179.09 cm-1 View
- 26 1220.67 cm-1 View
- 27 1321.69 cm-1 View
- 28 1344.09 cm-1 View
- 29 1381.16 cm-1 View
- 30 1395.11 cm-1 View
- 31 1401.38 cm-1 View
- 32 1469.41 cm-1 View
- 33 1557.19 cm-1 View
- 34 1606.92 cm-1 View
- 35 1625.50 cm-1 View
- 36 1785.04 cm-1 View
- 37 1796.54 cm-1 View
- 38 3042.11 cm-1 View
- 39 3050.76 cm-1 View
- 40 3055.16 cm-1 View
- 41 3071.42 cm-1 View
- 42 3072.62 cm-1 View
- 43 3076.97 cm-1 View
- 44 3170.75 cm-1 View
- 45 3887.93 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -6.99 | kJ mol-1 |
| Polar Solvation Energy | -17.70 | kJ mol-1 |
| Nonpolar Solvation Energy | 10.70 | kJ mol-1 |
| Surface Area | 125.25 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.23 | Debye |