Propan-1-amine
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 | 320.59 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 330.51 | 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 | 55.40 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 88.66 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 159.61 | J mol-1 K-1 |
| Rotational | 102.08 | J mol-1 K-1 |
| Vibrational | 45.42 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 307.12 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -68.99 | kJ mol-1 |
Molecular Orbitals
- 1 -416.32 eV View
- 2 -301.20 eV View
- 3 -300.50 eV View
- 4 -300.27 eV View
- 5 -30.58 eV View
- 6 -27.18 eV View
- 7 -23.29 eV View
- 8 -20.75 eV View
- 9 -16.79 eV View
- 10 -16.08 eV View
- 11 -15.23 eV View
- 12 -14.38 eV View
- 13 -13.46 eV View
- 14 -12.34 eV View
- 15 -11.86 eV View
- 16 -11.72 eV View
- 17 -8.62 eV View
- 18 16.09 eV View
- 19 16.19 eV View
- 20 17.34 eV View
- 21 18.49 eV View
- 22 18.79 eV View
- 23 19.48 eV View
- 24 20.23 eV View
- 25 20.50 eV View
- 26 21.02 eV View
- 27 21.16 eV View
- 28 21.79 eV View
- 29 22.11 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 99.03 cm-1 View
- 2 194.81 cm-1 View
- 3 214.34 cm-1 View
- 4 315.34 cm-1 View
- 5 468.36 cm-1 View
- 6 782.18 cm-1 View
- 7 890.23 cm-1 View
- 8 928.43 cm-1 View
- 9 994.84 cm-1 View
- 10 1054.50 cm-1 View
- 11 1098.57 cm-1 View
- 12 1131.18 cm-1 View
- 13 1136.32 cm-1 View
- 14 1149.49 cm-1 View
- 15 1170.51 cm-1 View
- 16 1195.55 cm-1 View
- 17 1266.63 cm-1 View
- 18 1369.63 cm-1 View
- 19 1378.55 cm-1 View
- 20 1408.01 cm-1 View
- 21 1409.84 cm-1 View
- 22 1411.99 cm-1 View
- 23 1430.97 cm-1 View
- 24 1671.13 cm-1 View
- 25 2906.24 cm-1 View
- 26 2954.94 cm-1 View
- 27 2989.70 cm-1 View
- 28 3034.97 cm-1 View
- 29 3077.91 cm-1 View
- 30 3084.64 cm-1 View
- 31 3181.70 cm-1 View
- 32 3387.32 cm-1 View
- 33 3522.72 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 4.50 | kJ mol-1 |
| Polar Solvation Energy | -8.44 | kJ mol-1 |
| Nonpolar Solvation Energy | 12.96 | kJ mol-1 |
| Surface Area | 82.91 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.54 | Debye |