4-aminobenzoic 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 | 362.76 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 372.68 | 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 | 114.24 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 147.50 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.11 | J mol-1 K-1 |
| Rotational | 123.36 | J mol-1 K-1 |
| Vibrational | 96.13 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 389.60 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -286.44 | kJ mol-1 |
Molecular Orbitals
- 1 -551.86 eV View
- 2 -550.45 eV View
- 3 -417.67 eV View
- 4 -303.70 eV View
- 5 -301.89 eV View
- 6 -300.65 eV View
- 7 -300.65 eV View
- 8 -300.39 eV View
- 9 -300.12 eV View
- 10 -300.12 eV View
- 11 -37.43 eV View
- 12 -34.12 eV View
- 13 -31.90 eV View
- 14 -29.59 eV View
- 15 -26.34 eV View
- 16 -26.07 eV View
- 17 -22.03 eV View
- 18 -21.46 eV View
- 19 -19.72 eV View
- 20 -17.87 eV View
- 21 -17.46 eV View
- 22 -16.69 eV View
- 23 -15.57 eV View
- 24 -15.29 eV View
- 25 -14.99 eV View
- 26 -14.79 eV View
- 27 -14.12 eV View
- 28 -13.71 eV View
- 29 -12.93 eV View
- 30 -12.07 eV View
- 31 -11.74 eV View
- 32 -10.82 eV View
- 33 -9.12 eV View
- 34 -8.92 eV View
- 35 -8.02 eV View
- 36 -6.60 eV View
- 37 6.19 eV View
- 38 7.10 eV View
- 39 9.68 eV View
- 40 13.47 eV View
- 41 15.08 eV View
- 42 16.18 eV View
- 43 16.62 eV View
- 44 17.25 eV View
- 45 17.93 eV View
- 46 18.98 eV View
- 47 19.41 eV View
- 48 19.57 eV View
- 49 20.15 eV View
- 50 21.09 eV View
- 51 23.04 eV View
- 52 24.07 eV View
- 53 24.31 eV View
- 54 24.83 eV View
- 55 27.54 eV View
- 56 30.06 eV View
- 57 30.90 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 38.00 cm-1 View
- 2 92.68 cm-1 View
- 3 186.37 cm-1 View
- 4 251.15 cm-1 View
- 5 276.53 cm-1 View
- 6 336.56 cm-1 View
- 7 359.57 cm-1 View
- 8 398.69 cm-1 View
- 9 446.77 cm-1 View
- 10 496.54 cm-1 View
- 11 514.93 cm-1 View
- 12 547.40 cm-1 View
- 13 635.40 cm-1 View
- 14 648.14 cm-1 View
- 15 727.90 cm-1 View
- 16 746.78 cm-1 View
- 17 837.22 cm-1 View
- 18 856.27 cm-1 View
- 19 931.44 cm-1 View
- 20 956.54 cm-1 View
- 21 975.82 cm-1 View
- 22 999.84 cm-1 View
- 23 1058.34 cm-1 View
- 24 1084.59 cm-1 View
- 25 1149.80 cm-1 View
- 26 1175.60 cm-1 View
- 27 1207.00 cm-1 View
- 28 1225.60 cm-1 View
- 29 1241.12 cm-1 View
- 30 1350.25 cm-1 View
- 31 1375.93 cm-1 View
- 32 1475.89 cm-1 View
- 33 1548.28 cm-1 View
- 34 1612.64 cm-1 View
- 35 1678.43 cm-1 View
- 36 1766.09 cm-1 View
- 37 1792.37 cm-1 View
- 38 1976.79 cm-1 View
- 39 3044.14 cm-1 View
- 40 3047.56 cm-1 View
- 41 3058.97 cm-1 View
- 42 3063.08 cm-1 View
- 43 3422.48 cm-1 View
- 44 3536.58 cm-1 View
- 45 3857.21 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -16.95 | kJ mol-1 |
| Polar Solvation Energy | -28.10 | kJ mol-1 |
| Nonpolar Solvation Energy | 11.16 | kJ mol-1 |
| Surface Area | 129.87 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 4.03 | Debye |