3-methyl-1h-indole
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 | 424.22 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 434.14 | 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 | 111.76 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 145.02 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.55 | J mol-1 K-1 |
| Rotational | 121.84 | J mol-1 K-1 |
| Vibrational | 81.17 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 372.57 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 138.14 | kJ mol-1 |
Molecular Orbitals
- 1 -418.45 eV View
- 2 -300.92 eV View
- 3 -300.69 eV View
- 4 -300.41 eV View
- 5 -299.93 eV View
- 6 -299.88 eV View
- 7 -299.88 eV View
- 8 -299.67 eV View
- 9 -299.66 eV View
- 10 -299.55 eV View
- 11 -32.82 eV View
- 12 -29.08 eV View
- 13 -27.60 eV View
- 14 -25.58 eV View
- 15 -25.17 eV View
- 16 -23.80 eV View
- 17 -21.07 eV View
- 18 -20.27 eV View
- 19 -18.90 eV View
- 20 -17.81 eV View
- 21 -16.16 eV View
- 22 -16.07 eV View
- 23 -15.05 eV View
- 24 -14.87 eV View
- 25 -14.50 eV View
- 26 -13.93 eV View
- 27 -13.64 eV View
- 28 -13.08 eV View
- 29 -12.82 eV View
- 30 -11.78 eV View
- 31 -11.22 eV View
- 32 -11.04 eV View
- 33 -8.62 eV View
- 34 -6.52 eV View
- 35 -5.87 eV View
- 36 6.67 eV View
- 37 7.91 eV View
- 38 10.00 eV View
- 39 14.22 eV View
- 40 15.33 eV View
- 41 15.97 eV View
- 42 17.14 eV View
- 43 17.40 eV View
- 44 17.48 eV View
- 45 18.80 eV View
- 46 19.34 eV View
- 47 19.71 eV View
- 48 19.89 eV View
- 49 20.01 eV View
- 50 20.54 eV View
- 51 20.94 eV View
- 52 22.40 eV View
- 53 23.92 eV View
- 54 24.60 eV View
- 55 25.82 eV View
- 56 26.15 eV View
- 57 29.02 eV View
- 58 30.78 eV View
- 59 31.87 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 74.09 cm-1 View
- 2 142.65 cm-1 View
- 3 200.78 cm-1 View
- 4 240.72 cm-1 View
- 5 304.51 cm-1 View
- 6 382.64 cm-1 View
- 7 394.11 cm-1 View
- 8 483.76 cm-1 View
- 9 496.73 cm-1 View
- 10 557.62 cm-1 View
- 11 562.35 cm-1 View
- 12 566.17 cm-1 View
- 13 724.91 cm-1 View
- 14 745.15 cm-1 View
- 15 772.72 cm-1 View
- 16 840.70 cm-1 View
- 17 843.77 cm-1 View
- 18 878.35 cm-1 View
- 19 899.55 cm-1 View
- 20 953.54 cm-1 View
- 21 983.39 cm-1 View
- 22 994.94 cm-1 View
- 23 1004.95 cm-1 View
- 24 1072.11 cm-1 View
- 25 1082.67 cm-1 View
- 26 1113.51 cm-1 View
- 27 1151.44 cm-1 View
- 28 1162.09 cm-1 View
- 29 1192.53 cm-1 View
- 30 1249.77 cm-1 View
- 31 1336.16 cm-1 View
- 32 1356.25 cm-1 View
- 33 1387.71 cm-1 View
- 34 1390.91 cm-1 View
- 35 1396.23 cm-1 View
- 36 1416.15 cm-1 View
- 37 1489.40 cm-1 View
- 38 1527.67 cm-1 View
- 39 1641.71 cm-1 View
- 40 1759.20 cm-1 View
- 41 1787.43 cm-1 View
- 42 1816.73 cm-1 View
- 43 3054.53 cm-1 View
- 44 3062.86 cm-1 View
- 45 3066.23 cm-1 View
- 46 3074.86 cm-1 View
- 47 3078.35 cm-1 View
- 48 3082.16 cm-1 View
- 49 3107.96 cm-1 View
- 50 3166.14 cm-1 View
- 51 3452.89 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 8.25 | kJ mol-1 |
| Polar Solvation Energy | -13.57 | kJ mol-1 |
| Nonpolar Solvation Energy | 21.82 | kJ mol-1 |
| Surface Area | 120.76 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.12 | Debye |