2,3-dihydroinden-1-one
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 | 393.00 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 402.91 | 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 | 100.40 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 133.65 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.65 | J mol-1 K-1 |
| Rotational | 121.90 | J mol-1 K-1 |
| Vibrational | 69.04 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 360.59 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -74.81 | kJ mol-1 |
Molecular Orbitals
- 1 -551.55 eV View
- 2 -302.50 eV View
- 3 -300.93 eV View
- 4 -300.71 eV View
- 5 -300.48 eV View
- 6 -300.47 eV View
- 7 -300.44 eV View
- 8 -300.25 eV View
- 9 -300.24 eV View
- 10 -300.10 eV View
- 11 -35.99 eV View
- 12 -30.48 eV View
- 13 -28.38 eV View
- 14 -26.45 eV View
- 15 -25.40 eV View
- 16 -23.52 eV View
- 17 -21.54 eV View
- 18 -20.31 eV View
- 19 -19.04 eV View
- 20 -16.79 eV View
- 21 -16.49 eV View
- 22 -16.29 eV View
- 23 -15.87 eV View
- 24 -15.04 eV View
- 25 -14.26 eV View
- 26 -13.67 eV View
- 27 -13.47 eV View
- 28 -12.83 eV View
- 29 -12.81 eV View
- 30 -12.21 eV View
- 31 -11.67 eV View
- 32 -10.99 eV View
- 33 -8.57 eV View
- 34 -7.78 eV View
- 35 -7.38 eV View
- 36 5.82 eV View
- 37 7.09 eV View
- 38 9.61 eV View
- 39 13.61 eV View
- 40 15.35 eV View
- 41 15.55 eV View
- 42 16.78 eV View
- 43 17.12 eV View
- 44 18.00 eV View
- 45 18.49 eV View
- 46 18.71 eV View
- 47 19.56 eV View
- 48 19.81 eV View
- 49 20.62 eV View
- 50 20.93 eV View
- 51 21.57 eV View
- 52 23.54 eV View
- 53 23.67 eV View
- 54 24.15 eV View
- 55 25.13 eV View
- 56 28.07 eV View
- 57 30.45 eV View
- 58 31.45 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -2.13 | kJ mol-1 |
| Polar Solvation Energy | -17.01 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.84 | kJ mol-1 |
| Surface Area | 123.81 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 3.87 | Debye |