2-methylpropyl acetate azane
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 | 575.97 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 585.88 | 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 | 163.05 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 196.31 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.75 | J mol-1 K-1 |
| Rotational | 127.65 | J mol-1 K-1 |
| Vibrational | 224.87 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 522.27 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -472.70 | kJ mol-1 |
Molecular Orbitals
- 1 -551.77 eV View
- 2 -550.57 eV View
- 3 -416.38 eV View
- 4 -303.66 eV View
- 5 -301.95 eV View
- 6 -300.90 eV View
- 7 -300.72 eV View
- 8 -300.31 eV View
- 9 -300.24 eV View
- 10 -37.23 eV View
- 11 -34.34 eV View
- 12 -29.82 eV View
- 13 -28.46 eV View
- 14 -26.12 eV View
- 15 -24.31 eV View
- 16 -23.81 eV View
- 17 -20.13 eV View
- 18 -18.90 eV View
- 19 -16.85 eV View
- 20 -16.59 eV View
- 21 -15.94 eV View
- 22 -15.84 eV View
- 23 -15.81 eV View
- 24 -15.51 eV View
- 25 -14.95 eV View
- 26 -14.76 eV View
- 27 -14.01 eV View
- 28 -13.71 eV View
- 29 -13.47 eV View
- 30 -12.30 eV View
- 31 -12.03 eV View
- 32 -11.77 eV View
- 33 -11.56 eV View
- 34 -10.85 eV View
- 35 -9.61 eV View
- 36 -8.87 eV View
- 37 -8.69 eV View
- 38 8.66 eV View
- 39 14.30 eV View
- 40 15.99 eV View
- 41 16.36 eV View
- 42 17.30 eV View
- 43 17.56 eV View
- 44 17.91 eV View
- 45 18.39 eV View
- 46 18.87 eV View
- 47 19.06 eV View
- 48 19.31 eV View
- 49 19.77 eV View
- 50 20.02 eV View
- 51 20.04 eV View
- 52 20.33 eV View
- 53 20.41 eV View
- 54 20.54 eV View
- 55 20.76 eV View
- 56 21.49 eV View
- 57 21.63 eV View
- 58 21.91 eV View
- 59 22.27 eV View
- 60 27.82 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 12.41 cm-1 View
- 2 14.48 cm-1 View
- 3 27.44 cm-1 View
- 4 44.53 cm-1 View
- 5 53.03 cm-1 View
- 6 61.87 cm-1 View
- 7 77.18 cm-1 View
- 8 139.13 cm-1 View
- 9 144.28 cm-1 View
- 10 151.74 cm-1 View
- 11 177.69 cm-1 View
- 12 182.95 cm-1 View
- 13 203.67 cm-1 View
- 14 292.72 cm-1 View
- 15 330.93 cm-1 View
- 16 436.68 cm-1 View
- 17 438.70 cm-1 View
- 18 512.97 cm-1 View
- 19 572.27 cm-1 View
- 20 605.41 cm-1 View
- 21 899.81 cm-1 View
- 22 938.93 cm-1 View
- 23 957.16 cm-1 View
- 24 959.68 cm-1 View
- 25 976.97 cm-1 View
- 26 983.00 cm-1 View
- 27 1003.89 cm-1 View
- 28 1033.66 cm-1 View
- 29 1074.91 cm-1 View
- 30 1110.02 cm-1 View
- 31 1124.63 cm-1 View
- 32 1159.13 cm-1 View
- 33 1170.38 cm-1 View
- 34 1257.86 cm-1 View
- 35 1312.66 cm-1 View
- 36 1337.42 cm-1 View
- 37 1347.99 cm-1 View
- 38 1377.11 cm-1 View
- 39 1380.99 cm-1 View
- 40 1383.52 cm-1 View
- 41 1404.57 cm-1 View
- 42 1405.11 cm-1 View
- 43 1405.35 cm-1 View
- 44 1407.43 cm-1 View
- 45 1410.35 cm-1 View
- 46 1414.40 cm-1 View
- 47 1415.02 cm-1 View
- 48 1418.71 cm-1 View
- 49 1753.98 cm-1 View
- 50 1757.65 cm-1 View
- 51 1963.02 cm-1 View
- 52 2881.03 cm-1 View
- 53 2932.15 cm-1 View
- 54 2983.12 cm-1 View
- 55 3055.97 cm-1 View
- 56 3071.98 cm-1 View
- 57 3077.17 cm-1 View
- 58 3079.11 cm-1 View
- 59 3083.41 cm-1 View
- 60 3084.51 cm-1 View
- 61 3153.13 cm-1 View
- 62 3178.25 cm-1 View
- 63 3179.59 cm-1 View
- 64 3457.91 cm-1 View
- 65 3467.25 cm-1 View
- 66 3662.89 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 9.36 | kJ mol-1 |
| Polar Solvation Energy | -22.27 | kJ mol-1 |
| Nonpolar Solvation Energy | 31.64 | kJ mol-1 |
| Surface Area | 152.45 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.97 | Debye |