(2r)-1-phenylpropan-2-ol
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 | 510.41 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 520.32 | 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 | 131.59 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 164.85 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.02 | J mol-1 K-1 |
| Rotational | 123.73 | J mol-1 K-1 |
| Vibrational | 122.34 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 416.09 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -142.17 | kJ mol-1 |
Molecular Orbitals
- 1 -550.81 eV View
- 2 -301.96 eV View
- 3 -300.58 eV View
- 4 -300.49 eV View
- 5 -300.13 eV View
- 6 -299.97 eV View
- 7 -299.94 eV View
- 8 -299.92 eV View
- 9 -299.88 eV View
- 10 -299.84 eV View
- 11 -35.14 eV View
- 12 -29.77 eV View
- 13 -27.60 eV View
- 14 -25.97 eV View
- 15 -25.83 eV View
- 16 -24.08 eV View
- 17 -21.08 eV View
- 18 -20.79 eV View
- 19 -19.61 eV View
- 20 -17.44 eV View
- 21 -16.91 eV View
- 22 -16.20 eV View
- 23 -15.75 eV View
- 24 -15.13 eV View
- 25 -14.99 eV View
- 26 -14.32 eV View
- 27 -13.92 eV View
- 28 -13.29 eV View
- 29 -12.92 eV View
- 30 -12.86 eV View
- 31 -11.89 eV View
- 32 -11.46 eV View
- 33 -11.40 eV View
- 34 -10.71 eV View
- 35 -9.32 eV View
- 36 -7.51 eV View
- 37 -7.20 eV View
- 38 7.37 eV View
- 39 7.50 eV View
- 40 13.60 eV View
- 41 14.87 eV View
- 42 15.65 eV View
- 43 16.48 eV View
- 44 17.16 eV View
- 45 17.32 eV View
- 46 18.17 eV View
- 47 18.76 eV View
- 48 19.16 eV View
- 49 19.35 eV View
- 50 19.58 eV View
- 51 20.15 eV View
- 52 20.43 eV View
- 53 20.51 eV View
- 54 20.73 eV View
- 55 21.27 eV View
- 56 21.62 eV View
- 57 24.21 eV View
- 58 24.23 eV View
- 59 24.79 eV View
- 60 25.28 eV View
- 61 30.13 eV View
- 62 31.45 eV View
Jmol._Canvas2D (JSmol) "jmol_orbitals"[x]
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 33.45 cm-1 View
- 2 75.94 cm-1 View
- 3 101.90 cm-1 View
- 4 122.22 cm-1 View
- 5 170.37 cm-1 View
- 6 232.19 cm-1 View
- 7 302.23 cm-1 View
- 8 358.91 cm-1 View
- 9 411.10 cm-1 View
- 10 441.70 cm-1 View
- 11 485.54 cm-1 View
- 12 506.24 cm-1 View
- 13 616.92 cm-1 View
- 14 630.01 cm-1 View
- 15 682.22 cm-1 View
- 16 779.16 cm-1 View
- 17 848.75 cm-1 View
- 18 854.03 cm-1 View
- 19 908.75 cm-1 View
- 20 929.92 cm-1 View
- 21 940.95 cm-1 View
- 22 970.98 cm-1 View
- 23 976.85 cm-1 View
- 24 1014.50 cm-1 View
- 25 1030.81 cm-1 View
- 26 1048.37 cm-1 View
- 27 1062.81 cm-1 View
- 28 1097.65 cm-1 View
- 29 1103.95 cm-1 View
- 30 1116.83 cm-1 View
- 31 1125.18 cm-1 View
- 32 1153.54 cm-1 View
- 33 1156.92 cm-1 View
- 34 1212.39 cm-1 View
- 35 1225.16 cm-1 View
- 36 1270.36 cm-1 View
- 37 1314.60 cm-1 View
- 38 1332.22 cm-1 View
- 39 1371.71 cm-1 View
- 40 1391.29 cm-1 View
- 41 1400.65 cm-1 View
- 42 1410.77 cm-1 View
- 43 1418.07 cm-1 View
- 44 1437.99 cm-1 View
- 45 1541.88 cm-1 View
- 46 1604.72 cm-1 View
- 47 1780.65 cm-1 View
- 48 1799.31 cm-1 View
- 49 2827.43 cm-1 View
- 50 2950.35 cm-1 View
- 51 3024.30 cm-1 View
- 52 3048.17 cm-1 View
- 53 3051.74 cm-1 View
- 54 3059.59 cm-1 View
- 55 3067.75 cm-1 View
- 56 3079.22 cm-1 View
- 57 3080.20 cm-1 View
- 58 3085.98 cm-1 View
- 59 3179.97 cm-1 View
- 60 3903.33 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 | 10.02 | kJ mol-1 |
| Polar Solvation Energy | -13.02 | kJ mol-1 |
| Nonpolar Solvation Energy | 23.03 | kJ mol-1 |
| Surface Area | 118.77 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.88 | Debye |
Jmol._Canvas2D (JSmol) "jmol_solvation"[x]