2-phenylpropan-2-ol
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 | 513.41 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 523.33 | 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 | 133.83 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 167.09 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.02 | J mol-1 K-1 |
| Rotational | 123.09 | J mol-1 K-1 |
| Vibrational | 109.37 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 402.48 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -143.47 | kJ mol-1 |
Molecular Orbitals
- 1 -550.88 eV View
- 2 -302.18 eV View
- 3 -300.40 eV View
- 4 -300.36 eV View
- 5 -300.15 eV View
- 6 -300.00 eV View
- 7 -299.96 eV View
- 8 -299.94 eV View
- 9 -299.89 eV View
- 10 -299.88 eV View
- 11 -35.22 eV View
- 12 -29.74 eV View
- 13 -27.63 eV View
- 14 -25.87 eV View
- 15 -25.48 eV View
- 16 -24.54 eV View
- 17 -21.64 eV View
- 18 -20.76 eV View
- 19 -19.38 eV View
- 20 -17.64 eV View
- 21 -16.48 eV View
- 22 -15.87 eV View
- 23 -15.41 eV View
- 24 -15.37 eV View
- 25 -14.64 eV View
- 26 -14.43 eV View
- 27 -14.18 eV View
- 28 -13.82 eV View
- 29 -12.96 eV View
- 30 -12.81 eV View
- 31 -12.13 eV View
- 32 -11.81 eV View
- 33 -11.30 eV View
- 34 -10.47 eV View
- 35 -9.44 eV View
- 36 -7.52 eV View
- 37 -7.26 eV View
- 38 7.35 eV View
- 39 7.49 eV View
- 40 13.60 eV View
- 41 14.69 eV View
- 42 15.26 eV View
- 43 16.51 eV View
- 44 17.35 eV View
- 45 17.71 eV View
- 46 18.10 eV View
- 47 18.62 eV View
- 48 18.82 eV View
- 49 19.35 eV View
- 50 19.63 eV View
- 51 19.88 eV View
- 52 20.35 eV View
- 53 20.66 eV View
- 54 20.86 eV View
- 55 21.20 eV View
- 56 21.87 eV View
- 57 24.13 eV View
- 58 24.45 eV View
- 59 24.82 eV View
- 60 25.27 eV View
- 61 30.06 eV View
- 62 31.44 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 31.03 cm-1 View
- 2 124.42 cm-1 View
- 3 172.80 cm-1 View
- 4 217.95 cm-1 View
- 5 275.42 cm-1 View
- 6 283.12 cm-1 View
- 7 306.84 cm-1 View
- 8 341.56 cm-1 View
- 9 358.72 cm-1 View
- 10 396.64 cm-1 View
- 11 446.67 cm-1 View
- 12 497.01 cm-1 View
- 13 537.51 cm-1 View
- 14 599.83 cm-1 View
- 15 632.39 cm-1 View
- 16 668.83 cm-1 View
- 17 781.58 cm-1 View
- 18 800.33 cm-1 View
- 19 851.34 cm-1 View
- 20 929.70 cm-1 View
- 21 943.49 cm-1 View
- 22 954.22 cm-1 View
- 23 976.71 cm-1 View
- 24 979.83 cm-1 View
- 25 1012.33 cm-1 View
- 26 1016.59 cm-1 View
- 27 1023.13 cm-1 View
- 28 1097.85 cm-1 View
- 29 1120.01 cm-1 View
- 30 1155.52 cm-1 View
- 31 1164.52 cm-1 View
- 32 1191.91 cm-1 View
- 33 1229.19 cm-1 View
- 34 1264.53 cm-1 View
- 35 1300.81 cm-1 View
- 36 1310.39 cm-1 View
- 37 1320.32 cm-1 View
- 38 1385.80 cm-1 View
- 39 1394.66 cm-1 View
- 40 1401.70 cm-1 View
- 41 1405.30 cm-1 View
- 42 1409.08 cm-1 View
- 43 1443.66 cm-1 View
- 44 1465.26 cm-1 View
- 45 1543.09 cm-1 View
- 46 1599.60 cm-1 View
- 47 1780.50 cm-1 View
- 48 1799.48 cm-1 View
- 49 3014.51 cm-1 View
- 50 3050.71 cm-1 View
- 51 3059.58 cm-1 View
- 52 3061.84 cm-1 View
- 53 3067.19 cm-1 View
- 54 3079.76 cm-1 View
- 55 3083.31 cm-1 View
- 56 3087.19 cm-1 View
- 57 3091.42 cm-1 View
- 58 3171.40 cm-1 View
- 59 3181.54 cm-1 View
- 60 3900.28 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 7.68 | kJ mol-1 |
| Polar Solvation Energy | -13.99 | kJ mol-1 |
| Nonpolar Solvation Energy | 21.69 | kJ mol-1 |
| Surface Area | 123.24 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.93 | Debye |