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 | 363.63 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 373.54 | 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 | 93.25 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 126.51 | 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 | 54.87 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 345.08 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 199.90 | kJ mol-1 |
Molecular Orbitals
- 1 -417.13 eV View
- 2 -301.33 eV View
- 3 -301.32 eV View
- 4 -300.69 eV View
- 5 -300.69 eV View
- 6 -300.46 eV View
- 7 -300.37 eV View
- 8 -300.35 eV View
- 9 -300.34 eV View
- 10 -300.33 eV View
- 11 -32.43 eV View
- 12 -29.59 eV View
- 13 -28.02 eV View
- 14 -26.14 eV View
- 15 -25.86 eV View
- 16 -22.19 eV View
- 17 -21.54 eV View
- 18 -20.85 eV View
- 19 -18.13 eV View
- 20 -17.75 eV View
- 21 -17.23 eV View
- 22 -15.47 eV View
- 23 -15.27 eV View
- 24 -14.54 eV View
- 25 -14.16 eV View
- 26 -13.90 eV View
- 27 -13.84 eV View
- 28 -12.33 eV View
- 29 -11.80 eV View
- 30 -11.27 eV View
- 31 -9.55 eV View
- 32 -8.80 eV View
- 33 -7.49 eV View
- 34 -6.73 eV View
- 35 5.26 eV View
- 36 6.43 eV View
- 37 8.48 eV View
- 38 11.01 eV View
- 39 14.66 eV View
- 40 15.38 eV View
- 41 15.88 eV View
- 42 16.89 eV View
- 43 17.69 eV View
- 44 18.52 eV View
- 45 18.89 eV View
- 46 19.38 eV View
- 47 19.56 eV View
- 48 20.35 eV View
- 49 22.53 eV View
- 50 22.89 eV View
- 51 23.48 eV View
- 52 24.25 eV View
- 53 25.63 eV View
- 54 27.30 eV View
- 55 27.80 eV View
- 56 30.70 eV View
- 57 31.41 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 161.01 cm-1 View
- 2 164.16 cm-1 View
- 3 344.47 cm-1 View
- 4 390.34 cm-1 View
- 5 431.86 cm-1 View
- 6 476.04 cm-1 View
- 7 521.01 cm-1 View
- 8 528.58 cm-1 View
- 9 558.65 cm-1 View
- 10 636.51 cm-1 View
- 11 751.73 cm-1 View
- 12 778.77 cm-1 View
- 13 811.36 cm-1 View
- 14 815.25 cm-1 View
- 15 887.53 cm-1 View
- 16 902.89 cm-1 View
- 17 923.56 cm-1 View
- 18 924.03 cm-1 View
- 19 969.60 cm-1 View
- 20 999.72 cm-1 View
- 21 1015.98 cm-1 View
- 22 1084.02 cm-1 View
- 23 1103.10 cm-1 View
- 24 1121.13 cm-1 View
- 25 1134.86 cm-1 View
- 26 1153.90 cm-1 View
- 27 1156.70 cm-1 View
- 28 1210.89 cm-1 View
- 29 1214.78 cm-1 View
- 30 1386.64 cm-1 View
- 31 1411.18 cm-1 View
- 32 1460.39 cm-1 View
- 33 1548.60 cm-1 View
- 34 1599.63 cm-1 View
- 35 1667.52 cm-1 View
- 36 1767.45 cm-1 View
- 37 1789.74 cm-1 View
- 38 1810.14 cm-1 View
- 39 3029.30 cm-1 View
- 40 3048.76 cm-1 View
- 41 3054.05 cm-1 View
- 42 3058.68 cm-1 View
- 43 3063.53 cm-1 View
- 44 3074.34 cm-1 View
- 45 3077.06 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 6.56 | kJ mol-1 |
| Polar Solvation Energy | -13.80 | kJ mol-1 |
| Nonpolar Solvation Energy | 20.36 | kJ mol-1 |
| Surface Area | 111.41 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.59 | Debye |