Hexan-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 | 550.30 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 560.21 | 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 | 115.85 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 149.10 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 166.32 | J mol-1 K-1 |
| Rotational | 119.57 | J mol-1 K-1 |
| Vibrational | 116.56 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 402.45 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -132.74 | kJ mol-1 |
Molecular Orbitals
- 1 -416.28 eV View
- 2 -301.15 eV View
- 3 -300.43 eV View
- 4 -300.41 eV View
- 5 -300.40 eV View
- 6 -300.35 eV View
- 7 -300.22 eV View
- 8 -30.56 eV View
- 9 -28.47 eV View
- 10 -26.79 eV View
- 11 -24.61 eV View
- 12 -22.57 eV View
- 13 -20.59 eV View
- 14 -20.20 eV View
- 15 -17.00 eV View
- 16 -16.34 eV View
- 17 -15.97 eV View
- 18 -15.40 eV View
- 19 -14.94 eV View
- 20 -14.12 eV View
- 21 -13.71 eV View
- 22 -13.28 eV View
- 23 -12.72 eV View
- 24 -12.22 eV View
- 25 -11.96 eV View
- 26 -11.57 eV View
- 27 -11.28 eV View
- 28 -10.73 eV View
- 29 -8.57 eV View
- 30 15.49 eV View
- 31 15.63 eV View
- 32 16.42 eV View
- 33 16.85 eV View
- 34 17.34 eV View
- 35 17.68 eV View
- 36 18.25 eV View
- 37 18.68 eV View
- 38 19.12 eV View
- 39 19.52 eV View
- 40 19.72 eV View
- 41 20.18 eV View
- 42 20.58 eV View
- 43 20.74 eV View
- 44 21.14 eV View
- 45 21.36 eV View
- 46 21.59 eV View
- 47 22.04 eV View
- 48 22.24 eV View
- 49 22.34 eV View
- 50 22.77 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 52.26 cm-1 View
- 2 63.94 cm-1 View
- 3 100.07 cm-1 View
- 4 122.28 cm-1 View
- 5 168.14 cm-1 View
- 6 197.47 cm-1 View
- 7 232.52 cm-1 View
- 8 328.96 cm-1 View
- 9 368.84 cm-1 View
- 10 483.14 cm-1 View
- 11 496.69 cm-1 View
- 12 770.25 cm-1 View
- 13 819.67 cm-1 View
- 14 855.75 cm-1 View
- 15 866.92 cm-1 View
- 16 952.29 cm-1 View
- 17 984.09 cm-1 View
- 18 999.37 cm-1 View
- 19 1008.59 cm-1 View
- 20 1028.39 cm-1 View
- 21 1062.43 cm-1 View
- 22 1103.62 cm-1 View
- 23 1105.72 cm-1 View
- 24 1127.10 cm-1 View
- 25 1137.59 cm-1 View
- 26 1148.90 cm-1 View
- 27 1156.02 cm-1 View
- 28 1160.08 cm-1 View
- 29 1166.72 cm-1 View
- 30 1185.94 cm-1 View
- 31 1193.15 cm-1 View
- 32 1233.37 cm-1 View
- 33 1299.59 cm-1 View
- 34 1323.56 cm-1 View
- 35 1355.45 cm-1 View
- 36 1386.62 cm-1 View
- 37 1389.65 cm-1 View
- 38 1403.58 cm-1 View
- 39 1406.08 cm-1 View
- 40 1408.45 cm-1 View
- 41 1411.34 cm-1 View
- 42 1420.14 cm-1 View
- 43 1421.81 cm-1 View
- 44 1428.06 cm-1 View
- 45 1668.96 cm-1 View
- 46 2903.71 cm-1 View
- 47 2936.66 cm-1 View
- 48 2944.98 cm-1 View
- 49 2948.01 cm-1 View
- 50 2955.82 cm-1 View
- 51 2995.81 cm-1 View
- 52 3024.53 cm-1 View
- 53 3025.98 cm-1 View
- 54 3028.12 cm-1 View
- 55 3030.63 cm-1 View
- 56 3073.80 cm-1 View
- 57 3081.96 cm-1 View
- 58 3177.82 cm-1 View
- 59 3383.72 cm-1 View
- 60 3518.25 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 16.58 | kJ mol-1 |
| Polar Solvation Energy | -9.29 | kJ mol-1 |
| Nonpolar Solvation Energy | 25.87 | kJ mol-1 |
| Surface Area | 111.22 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.56 | Debye |