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 | 363.71 | 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 | 93.30 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 126.56 | 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 | 55.07 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 345.27 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 198.79 | 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 14.70 eV View
- 40 15.35 eV View
- 41 15.87 eV View
- 42 16.91 eV View
- 43 17.65 eV View
- 44 18.62 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 |
|
- 1 158.00 cm-1 View
- 2 164.11 cm-1 View
- 3 344.42 cm-1 View
- 4 390.10 cm-1 View
- 5 430.13 cm-1 View
- 6 475.41 cm-1 View
- 7 520.70 cm-1 View
- 8 528.92 cm-1 View
- 9 557.38 cm-1 View
- 10 636.31 cm-1 View
- 11 751.10 cm-1 View
- 12 778.92 cm-1 View
- 13 811.00 cm-1 View
- 14 815.10 cm-1 View
- 15 887.72 cm-1 View
- 16 903.26 cm-1 View
- 17 923.55 cm-1 View
- 18 924.48 cm-1 View
- 19 969.40 cm-1 View
- 20 999.56 cm-1 View
- 21 1015.63 cm-1 View
- 22 1084.77 cm-1 View
- 23 1103.46 cm-1 View
- 24 1120.39 cm-1 View
- 25 1132.48 cm-1 View
- 26 1153.20 cm-1 View
- 27 1155.98 cm-1 View
- 28 1211.34 cm-1 View
- 29 1218.69 cm-1 View
- 30 1387.25 cm-1 View
- 31 1413.61 cm-1 View
- 32 1460.69 cm-1 View
- 33 1549.45 cm-1 View
- 34 1601.32 cm-1 View
- 35 1668.67 cm-1 View
- 36 1769.49 cm-1 View
- 37 1788.70 cm-1 View
- 38 1810.16 cm-1 View
- 39 3032.53 cm-1 View
- 40 3051.12 cm-1 View
- 41 3054.51 cm-1 View
- 42 3057.36 cm-1 View
- 43 3064.83 cm-1 View
- 44 3075.15 cm-1 View
- 45 3079.71 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -0.18 | kJ mol-1 |
| Polar Solvation Energy | -14.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.84 | kJ mol-1 |
| Surface Area | 113.30 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.58 | Debye |