2-phenylacetic acid
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 | 389.39 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 399.30 | 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 | 112.73 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 145.99 | 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 | 106.92 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 400.67 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -303.65 | kJ mol-1 |
Molecular Orbitals
- 1 -552.14 eV View
- 2 -550.80 eV View
- 3 -303.97 eV View
- 4 -301.41 eV View
- 5 -300.60 eV View
- 6 -300.24 eV View
- 7 -300.24 eV View
- 8 -300.21 eV View
- 9 -300.20 eV View
- 10 -300.19 eV View
- 11 -37.69 eV View
- 12 -34.40 eV View
- 13 -30.11 eV View
- 14 -27.65 eV View
- 15 -26.14 eV View
- 16 -24.90 eV View
- 17 -21.20 eV View
- 18 -20.89 eV View
- 19 -19.74 eV View
- 20 -17.80 eV View
- 21 -16.83 eV View
- 22 -16.21 eV View
- 23 -16.05 eV View
- 24 -15.50 eV View
- 25 -14.95 eV View
- 26 -14.61 eV View
- 27 -13.65 eV View
- 28 -13.48 eV View
- 29 -12.80 eV View
- 30 -12.11 eV View
- 31 -11.77 eV View
- 32 -11.72 eV View
- 33 -9.31 eV View
- 34 -9.27 eV View
- 35 -7.79 eV View
- 36 -7.48 eV View
- 37 6.95 eV View
- 38 7.21 eV View
- 39 8.58 eV View
- 40 13.36 eV View
- 41 15.50 eV View
- 42 15.55 eV View
- 43 16.24 eV View
- 44 17.47 eV View
- 45 17.73 eV View
- 46 19.04 eV View
- 47 19.18 eV View
- 48 19.51 eV View
- 49 19.83 eV View
- 50 20.07 eV View
- 51 21.72 eV View
- 52 23.84 eV View
- 53 23.89 eV View
- 54 24.39 eV View
- 55 24.76 eV View
- 56 27.31 eV View
- 57 29.87 eV View
- 58 31.15 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 27.86 cm-1 View
- 2 39.75 cm-1 View
- 3 100.00 cm-1 View
- 4 225.01 cm-1 View
- 5 305.64 cm-1 View
- 6 355.67 cm-1 View
- 7 411.19 cm-1 View
- 8 444.59 cm-1 View
- 9 483.43 cm-1 View
- 10 505.68 cm-1 View
- 11 549.14 cm-1 View
- 12 628.89 cm-1 View
- 13 637.21 cm-1 View
- 14 703.62 cm-1 View
- 15 771.09 cm-1 View
- 16 848.41 cm-1 View
- 17 875.19 cm-1 View
- 18 922.83 cm-1 View
- 19 938.82 cm-1 View
- 20 977.14 cm-1 View
- 21 978.71 cm-1 View
- 22 1017.64 cm-1 View
- 23 1040.50 cm-1 View
- 24 1046.23 cm-1 View
- 25 1100.69 cm-1 View
- 26 1110.34 cm-1 View
- 27 1148.22 cm-1 View
- 28 1154.01 cm-1 View
- 29 1219.86 cm-1 View
- 30 1240.48 cm-1 View
- 31 1252.59 cm-1 View
- 32 1315.08 cm-1 View
- 33 1364.83 cm-1 View
- 34 1402.53 cm-1 View
- 35 1444.47 cm-1 View
- 36 1542.93 cm-1 View
- 37 1602.72 cm-1 View
- 38 1782.26 cm-1 View
- 39 1798.20 cm-1 View
- 40 1974.71 cm-1 View
- 41 2955.44 cm-1 View
- 42 3024.26 cm-1 View
- 43 3043.85 cm-1 View
- 44 3048.72 cm-1 View
- 45 3060.17 cm-1 View
- 46 3076.88 cm-1 View
- 47 3100.96 cm-1 View
- 48 3852.19 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -7.19 | kJ mol-1 |
| Polar Solvation Energy | -22.17 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.96 | kJ mol-1 |
| Surface Area | 130.26 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.22 | Debye |