Propan-2-imine
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 | 259.64 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 269.55 | 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 | 47.88 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 81.14 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.18 | J mol-1 K-1 |
| Rotational | 101.29 | J mol-1 K-1 |
| Vibrational | 40.29 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 300.76 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 2.01 | kJ mol-1 |
Molecular Orbitals
- 1 -416.36 eV View
- 2 -301.61 eV View
- 3 -300.79 eV View
- 4 -300.55 eV View
- 5 -31.35 eV View
- 6 -26.30 eV View
- 7 -24.79 eV View
- 8 -19.21 eV View
- 9 -16.43 eV View
- 10 -15.62 eV View
- 11 -15.25 eV View
- 12 -14.03 eV View
- 13 -13.38 eV View
- 14 -12.97 eV View
- 15 -9.30 eV View
- 16 -8.98 eV View
- 17 8.09 eV View
- 18 16.63 eV View
- 19 17.05 eV View
- 20 18.80 eV View
- 21 18.85 eV View
- 22 19.39 eV View
- 23 19.71 eV View
- 24 19.94 eV View
- 25 20.47 eV View
- 26 23.31 eV View
- 27 28.07 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 99.15 cm-1 View
- 2 126.92 cm-1 View
- 3 400.27 cm-1 View
- 4 490.35 cm-1 View
- 5 500.23 cm-1 View
- 6 815.96 cm-1 View
- 7 953.35 cm-1 View
- 8 965.01 cm-1 View
- 9 966.61 cm-1 View
- 10 1039.97 cm-1 View
- 11 1052.14 cm-1 View
- 12 1131.62 cm-1 View
- 13 1335.85 cm-1 View
- 14 1379.50 cm-1 View
- 15 1392.76 cm-1 View
- 16 1394.31 cm-1 View
- 17 1397.39 cm-1 View
- 18 1411.54 cm-1 View
- 19 1456.32 cm-1 View
- 20 1880.37 cm-1 View
- 21 3071.34 cm-1 View
- 22 3073.78 cm-1 View
- 23 3076.49 cm-1 View
- 24 3081.75 cm-1 View
- 25 3171.79 cm-1 View
- 26 3172.78 cm-1 View
- 27 3461.56 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.11 | kJ mol-1 |
| Polar Solvation Energy | -12.16 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.25 | kJ mol-1 |
| Surface Area | 75.01 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 2.57 | Debye |