3-(aminomethyl)benzaldehyde
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 | 420.52 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 430.44 | 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 | 119.15 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 152.41 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.93 | J mol-1 K-1 |
| Rotational | 124.86 | J mol-1 K-1 |
| Vibrational | 112.27 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 407.06 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -51.52 | kJ mol-1 |
Molecular Orbitals
- 1 -552.00 eV View
- 2 -416.56 eV View
- 3 -302.60 eV View
- 4 -301.54 eV View
- 5 -300.51 eV View
- 6 -300.48 eV View
- 7 -300.43 eV View
- 8 -300.39 eV View
- 9 -300.38 eV View
- 10 -300.33 eV View
- 11 -36.24 eV View
- 12 -30.96 eV View
- 13 -29.91 eV View
- 14 -26.89 eV View
- 15 -26.44 eV View
- 16 -23.40 eV View
- 17 -22.47 eV View
- 18 -20.61 eV View
- 19 -19.70 eV View
- 20 -17.80 eV View
- 21 -16.92 eV View
- 22 -16.55 eV View
- 23 -15.88 eV View
- 24 -15.28 eV View
- 25 -14.74 eV View
- 26 -14.35 eV View
- 27 -13.94 eV View
- 28 -13.57 eV View
- 29 -13.20 eV View
- 30 -12.22 eV View
- 31 -11.73 eV View
- 32 -11.54 eV View
- 33 -9.13 eV View
- 34 -8.84 eV View
- 35 -7.79 eV View
- 36 -7.54 eV View
- 37 5.70 eV View
- 38 7.02 eV View
- 39 9.50 eV View
- 40 13.68 eV View
- 41 15.43 eV View
- 42 16.15 eV View
- 43 17.00 eV View
- 44 17.58 eV View
- 45 17.92 eV View
- 46 18.39 eV View
- 47 18.82 eV View
- 48 19.33 eV View
- 49 19.69 eV View
- 50 19.80 eV View
- 51 20.62 eV View
- 52 21.40 eV View
- 53 23.19 eV View
- 54 23.83 eV View
- 55 23.95 eV View
- 56 24.80 eV View
- 57 27.37 eV View
- 58 30.35 eV View
- 59 30.96 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -9.36 | kJ mol-1 |
| Polar Solvation Energy | -23.53 | kJ mol-1 |
| Nonpolar Solvation Energy | 14.17 | kJ mol-1 |
| Surface Area | 135.29 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.09 | Debye |