Quinoline
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 | 363.72 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 373.63 | 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 | 93.28 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 126.54 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.36 | J mol-1 K-1 |
| Rotational | 120.85 | J mol-1 K-1 |
| Vibrational | 55.00 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 345.21 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 198.72 | kJ mol-1 |
Molecular Orbitals
- 1 -417.13 eV View
- 2 -301.32 eV View
- 3 -301.29 eV View
- 4 -300.70 eV View
- 5 -300.70 eV View
- 6 -300.47 eV View
- 7 -300.38 eV View
- 8 -300.36 eV View
- 9 -300.34 eV View
- 10 -300.32 eV View
- 11 -32.45 eV View
- 12 -29.59 eV View
- 13 -28.02 eV View
- 14 -26.14 eV View
- 15 -25.85 eV View
- 16 -22.21 eV View
- 17 -21.53 eV View
- 18 -20.86 eV View
- 19 -18.14 eV View
- 20 -17.73 eV View
- 21 -17.25 eV View
- 22 -15.45 eV View
- 23 -15.27 eV View
- 24 -14.53 eV View
- 25 -14.18 eV View
- 26 -13.91 eV View
- 27 -13.85 eV View
- 28 -12.32 eV View
- 29 -11.80 eV View
- 30 -11.28 eV View
- 31 -9.56 eV View
- 32 -8.81 eV View
- 33 -7.49 eV View
- 34 -6.73 eV View
- 35 5.27 eV View
- 36 6.44 eV View
- 37 8.49 eV View
- 38 11.02 eV View
- 39 14.71 eV View
- 40 15.35 eV View
- 41 15.87 eV View
- 42 16.90 eV View
- 43 17.65 eV View
- 44 18.61 eV View
- 45 18.93 eV View
- 46 19.35 eV View
- 47 19.56 eV View
- 48 20.39 eV View
- 49 22.52 eV View
- 50 22.84 eV View
- 51 23.51 eV View
- 52 24.23 eV View
- 53 25.63 eV View
- 54 27.28 eV View
- 55 27.82 eV View
- 56 30.72 eV View
- 57 31.42 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 158.05 cm-1 View
- 2 164.80 cm-1 View
- 3 345.09 cm-1 View
- 4 390.08 cm-1 View
- 5 430.44 cm-1 View
- 6 475.96 cm-1 View
- 7 520.75 cm-1 View
- 8 528.92 cm-1 View
- 9 557.70 cm-1 View
- 10 636.73 cm-1 View
- 11 750.93 cm-1 View
- 12 778.94 cm-1 View
- 13 810.83 cm-1 View
- 14 815.07 cm-1 View
- 15 887.71 cm-1 View
- 16 903.30 cm-1 View
- 17 923.54 cm-1 View
- 18 924.52 cm-1 View
- 19 969.55 cm-1 View
- 20 999.75 cm-1 View
- 21 1016.05 cm-1 View
- 22 1084.83 cm-1 View
- 23 1103.45 cm-1 View
- 24 1120.58 cm-1 View
- 25 1132.72 cm-1 View
- 26 1153.32 cm-1 View
- 27 1156.16 cm-1 View
- 28 1211.29 cm-1 View
- 29 1216.61 cm-1 View
- 30 1387.49 cm-1 View
- 31 1413.31 cm-1 View
- 32 1460.76 cm-1 View
- 33 1549.85 cm-1 View
- 34 1601.29 cm-1 View
- 35 1668.70 cm-1 View
- 36 1769.53 cm-1 View
- 37 1788.67 cm-1 View
- 38 1810.13 cm-1 View
- 39 3032.34 cm-1 View
- 40 3051.07 cm-1 View
- 41 3054.58 cm-1 View
- 42 3057.60 cm-1 View
- 43 3064.85 cm-1 View
- 44 3075.04 cm-1 View
- 45 3079.61 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 8.69 | kJ mol-1 |
| Polar Solvation Energy | -13.48 | kJ mol-1 |
| Nonpolar Solvation Energy | 22.20 | kJ mol-1 |
| Surface Area | 109.55 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.56 | Debye |