Phenylmethanol
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 | 356.77 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 366.69 | 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 | 88.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 121.31 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.15 | J mol-1 K-1 |
| Rotational | 117.27 | J mol-1 K-1 |
| Vibrational | 69.55 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 353.97 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -105.09 | kJ mol-1 |
Molecular Orbitals
- 1 -551.07 eV View
- 2 -301.92 eV View
- 3 -300.34 eV View
- 4 -300.22 eV View
- 5 -300.22 eV View
- 6 -300.19 eV View
- 7 -300.18 eV View
- 8 -300.15 eV View
- 9 -35.31 eV View
- 10 -29.93 eV View
- 11 -26.73 eV View
- 12 -26.11 eV View
- 13 -23.50 eV View
- 14 -21.07 eV View
- 15 -20.35 eV View
- 16 -17.92 eV View
- 17 -16.80 eV View
- 18 -16.15 eV View
- 19 -15.13 eV View
- 20 -14.78 eV View
- 21 -14.58 eV View
- 22 -14.40 eV View
- 23 -12.51 eV View
- 24 -12.33 eV View
- 25 -11.85 eV View
- 26 -10.77 eV View
- 27 -9.61 eV View
- 28 -7.77 eV View
- 29 -7.54 eV View
- 30 7.05 eV View
- 31 7.24 eV View
- 32 13.33 eV View
- 33 15.44 eV View
- 34 16.14 eV View
- 35 17.20 eV View
- 36 17.53 eV View
- 37 18.54 eV View
- 38 18.99 eV View
- 39 19.26 eV View
- 40 19.81 eV View
- 41 20.04 eV View
- 42 21.11 eV View
- 43 23.79 eV View
- 44 23.93 eV View
- 45 24.43 eV View
- 46 25.07 eV View
- 47 29.88 eV View
- 48 31.17 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 38.79 cm-1 View
- 2 156.46 cm-1 View
- 3 260.21 cm-1 View
- 4 314.56 cm-1 View
- 5 357.72 cm-1 View
- 6 392.69 cm-1 View
- 7 474.95 cm-1 View
- 8 581.60 cm-1 View
- 9 628.65 cm-1 View
- 10 656.99 cm-1 View
- 11 768.51 cm-1 View
- 12 850.23 cm-1 View
- 13 857.29 cm-1 View
- 14 905.65 cm-1 View
- 15 957.18 cm-1 View
- 16 979.28 cm-1 View
- 17 1016.56 cm-1 View
- 18 1037.93 cm-1 View
- 19 1047.00 cm-1 View
- 20 1100.74 cm-1 View
- 21 1109.06 cm-1 View
- 22 1127.79 cm-1 View
- 23 1153.19 cm-1 View
- 24 1154.91 cm-1 View
- 25 1219.77 cm-1 View
- 26 1292.83 cm-1 View
- 27 1314.50 cm-1 View
- 28 1345.81 cm-1 View
- 29 1365.11 cm-1 View
- 30 1407.26 cm-1 View
- 31 1543.25 cm-1 View
- 32 1597.78 cm-1 View
- 33 1783.99 cm-1 View
- 34 1798.45 cm-1 View
- 35 2927.74 cm-1 View
- 36 3013.02 cm-1 View
- 37 3049.27 cm-1 View
- 38 3050.83 cm-1 View
- 39 3059.56 cm-1 View
- 40 3067.59 cm-1 View
- 41 3079.24 cm-1 View
- 42 3890.32 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 6.67 | kJ mol-1 |
| Polar Solvation Energy | -11.69 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.35 | kJ mol-1 |
| Surface Area | 101.78 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.73 | Debye |