N-methyloxan-4-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 | 502.61 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 512.52 | 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 | 107.65 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 140.91 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 167.93 | J mol-1 K-1 |
| Rotational | 118.79 | J mol-1 K-1 |
| Vibrational | 82.22 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 368.94 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -226.01 | kJ mol-1 |
Molecular Orbitals
- 1 -551.07 eV View
- 2 -416.56 eV View
- 3 -301.78 eV View
- 4 -301.70 eV View
- 5 -301.56 eV View
- 6 -301.19 eV View
- 7 -300.62 eV View
- 8 -300.55 eV View
- 9 -35.51 eV View
- 10 -31.27 eV View
- 11 -27.51 eV View
- 12 -26.76 eV View
- 13 -23.65 eV View
- 14 -22.28 eV View
- 15 -21.72 eV View
- 16 -20.02 eV View
- 17 -17.22 eV View
- 18 -16.12 eV View
- 19 -16.05 eV View
- 20 -15.86 eV View
- 21 -15.19 eV View
- 22 -15.14 eV View
- 23 -14.24 eV View
- 24 -13.60 eV View
- 25 -13.39 eV View
- 26 -12.67 eV View
- 27 -12.52 eV View
- 28 -11.96 eV View
- 29 -11.39 eV View
- 30 -9.89 eV View
- 31 -8.76 eV View
- 32 -7.99 eV View
- 33 14.44 eV View
- 34 14.90 eV View
- 35 15.81 eV View
- 36 16.15 eV View
- 37 17.26 eV View
- 38 17.55 eV View
- 39 17.77 eV View
- 40 18.11 eV View
- 41 18.65 eV View
- 42 18.87 eV View
- 43 19.35 eV View
- 44 19.47 eV View
- 45 19.80 eV View
- 46 20.31 eV View
- 47 20.51 eV View
- 48 20.57 eV View
- 49 20.84 eV View
- 50 21.20 eV View
- 51 22.01 eV View
- 52 22.21 eV View
- 53 23.06 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 82.03 cm-1 View
- 2 129.99 cm-1 View
- 3 174.56 cm-1 View
- 4 205.10 cm-1 View
- 5 259.68 cm-1 View
- 6 333.93 cm-1 View
- 7 383.61 cm-1 View
- 8 457.67 cm-1 View
- 9 494.48 cm-1 View
- 10 511.41 cm-1 View
- 11 643.34 cm-1 View
- 12 827.23 cm-1 View
- 13 851.57 cm-1 View
- 14 894.97 cm-1 View
- 15 934.60 cm-1 View
- 16 960.13 cm-1 View
- 17 970.25 cm-1 View
- 18 999.02 cm-1 View
- 19 1004.32 cm-1 View
- 20 1034.21 cm-1 View
- 21 1052.84 cm-1 View
- 22 1078.14 cm-1 View
- 23 1097.43 cm-1 View
- 24 1114.02 cm-1 View
- 25 1117.02 cm-1 View
- 26 1128.18 cm-1 View
- 27 1130.77 cm-1 View
- 28 1136.41 cm-1 View
- 29 1156.75 cm-1 View
- 30 1166.14 cm-1 View
- 31 1218.92 cm-1 View
- 32 1256.69 cm-1 View
- 33 1315.33 cm-1 View
- 34 1320.91 cm-1 View
- 35 1324.19 cm-1 View
- 36 1349.84 cm-1 View
- 37 1369.95 cm-1 View
- 38 1375.93 cm-1 View
- 39 1378.92 cm-1 View
- 40 1383.53 cm-1 View
- 41 1388.52 cm-1 View
- 42 1402.11 cm-1 View
- 43 1406.44 cm-1 View
- 44 1422.81 cm-1 View
- 45 2849.21 cm-1 View
- 46 2939.16 cm-1 View
- 47 2941.63 cm-1 View
- 48 2964.20 cm-1 View
- 49 2968.89 cm-1 View
- 50 3028.37 cm-1 View
- 51 3034.38 cm-1 View
- 52 3037.16 cm-1 View
- 53 3040.75 cm-1 View
- 54 3046.47 cm-1 View
- 55 3059.98 cm-1 View
- 56 3134.46 cm-1 View
- 57 3364.69 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 5.28 | kJ mol-1 |
| Polar Solvation Energy | -13.64 | kJ mol-1 |
| Nonpolar Solvation Energy | 18.94 | kJ mol-1 |
| Surface Area | 115.71 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.69 | Debye |