Butan-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 | 397.36 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 407.28 | 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 | 75.69 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 108.95 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 162.27 | J mol-1 K-1 |
| Rotational | 108.67 | J mol-1 K-1 |
| Vibrational | 67.94 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 338.88 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -91.52 | kJ mol-1 |
Molecular Orbitals
- 1 -416.30 eV View
- 2 -301.18 eV View
- 3 -300.47 eV View
- 4 -300.40 eV View
- 5 -300.21 eV View
- 6 -30.56 eV View
- 7 -27.86 eV View
- 8 -24.98 eV View
- 9 -21.78 eV View
- 10 -20.58 eV View
- 11 -16.91 eV View
- 12 -16.35 eV View
- 13 -15.23 eV View
- 14 -14.55 eV View
- 15 -14.47 eV View
- 16 -13.28 eV View
- 17 -12.61 eV View
- 18 -11.94 eV View
- 19 -11.59 eV View
- 20 -11.29 eV View
- 21 -8.60 eV View
- 22 15.78 eV View
- 23 15.85 eV View
- 24 17.28 eV View
- 25 17.79 eV View
- 26 18.18 eV View
- 27 18.80 eV View
- 28 19.39 eV View
- 29 19.88 eV View
- 30 20.24 eV View
- 31 20.73 eV View
- 32 20.98 eV View
- 33 21.23 eV View
- 34 21.76 eV View
- 35 21.92 eV View
- 36 22.31 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 95.80 cm-1 View
- 2 98.25 cm-1 View
- 3 198.40 cm-1 View
- 4 211.62 cm-1 View
- 5 220.59 cm-1 View
- 6 427.45 cm-1 View
- 7 456.28 cm-1 View
- 8 768.04 cm-1 View
- 9 833.33 cm-1 View
- 10 930.75 cm-1 View
- 11 950.65 cm-1 View
- 12 1001.02 cm-1 View
- 13 1036.28 cm-1 View
- 14 1088.69 cm-1 View
- 15 1122.02 cm-1 View
- 16 1134.38 cm-1 View
- 17 1141.69 cm-1 View
- 18 1146.79 cm-1 View
- 19 1159.76 cm-1 View
- 20 1172.25 cm-1 View
- 21 1188.92 cm-1 View
- 22 1242.23 cm-1 View
- 23 1328.62 cm-1 View
- 24 1378.23 cm-1 View
- 25 1383.26 cm-1 View
- 26 1406.64 cm-1 View
- 27 1408.62 cm-1 View
- 28 1411.78 cm-1 View
- 29 1418.21 cm-1 View
- 30 1433.78 cm-1 View
- 31 1671.01 cm-1 View
- 32 2904.58 cm-1 View
- 33 2945.20 cm-1 View
- 34 2957.94 cm-1 View
- 35 2987.87 cm-1 View
- 36 3030.19 cm-1 View
- 37 3033.48 cm-1 View
- 38 3078.14 cm-1 View
- 39 3084.72 cm-1 View
- 40 3181.29 cm-1 View
- 41 3387.87 cm-1 View
- 42 3523.16 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 9.52 | kJ mol-1 |
| Polar Solvation Energy | -9.16 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.68 | kJ mol-1 |
| Surface Area | 103.08 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.55 | Debye |