2-methylbut-2-ene oxidane
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 | 441.84 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 451.76 | 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 | 141.16 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 174.42 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.77 | J mol-1 K-1 |
| Rotational | 124.86 | J mol-1 K-1 |
| Vibrational | 167.37 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 460.99 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -549.73 | kJ mol-1 |
Molecular Orbitals
- 1 -2803.24 eV View
- 2 -547.39 eV View
- 3 -297.26 eV View
- 4 -296.46 eV View
- 5 -296.17 eV View
- 6 -295.32 eV View
- 7 -294.07 eV View
- 8 -265.66 eV View
- 9 -196.00 eV View
- 10 -195.97 eV View
- 11 -195.97 eV View
- 12 -31.39 eV View
- 13 -24.77 eV View
- 14 -22.24 eV View
- 15 -20.11 eV View
- 16 -18.38 eV View
- 17 -15.83 eV View
- 18 -14.20 eV View
- 19 -13.90 eV View
- 20 -12.27 eV View
- 21 -11.75 eV View
- 22 -11.08 eV View
- 23 -10.75 eV View
- 24 -10.15 eV View
- 25 -9.18 eV View
- 26 -8.97 eV View
- 27 -8.59 eV View
- 28 -7.64 eV View
- 29 -7.55 eV View
- 30 -7.44 eV View
- 31 -3.71 eV View
- 32 0.29 eV View
- 33 0.29 eV View
- 34 0.90 eV View
- 35 12.27 eV View
- 36 19.35 eV View
- 37 20.02 eV View
- 38 21.49 eV View
- 39 21.94 eV View
- 40 22.68 eV View
- 41 22.85 eV View
- 42 23.02 eV View
- 43 23.39 eV View
- 44 24.09 eV View
- 45 24.43 eV View
- 46 24.95 eV View
- 47 25.16 eV View
- 48 25.59 eV View
- 49 27.21 eV View
- 50 30.13 eV View
- 51 33.05 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 30.03 cm-1 View
- 2 48.33 cm-1 View
- 3 63.80 cm-1 View
- 4 97.06 cm-1 View
- 5 131.92 cm-1 View
- 6 149.31 cm-1 View
- 7 178.06 cm-1 View
- 8 197.44 cm-1 View
- 9 215.48 cm-1 View
- 10 271.24 cm-1 View
- 11 281.82 cm-1 View
- 12 339.26 cm-1 View
- 13 354.23 cm-1 View
- 14 413.43 cm-1 View
- 15 490.02 cm-1 View
- 16 525.83 cm-1 View
- 17 560.67 cm-1 View
- 18 804.41 cm-1 View
- 19 915.17 cm-1 View
- 20 947.22 cm-1 View
- 21 998.65 cm-1 View
- 22 1011.25 cm-1 View
- 23 1022.95 cm-1 View
- 24 1059.25 cm-1 View
- 25 1068.67 cm-1 View
- 26 1163.63 cm-1 View
- 27 1249.30 cm-1 View
- 28 1297.75 cm-1 View
- 29 1314.79 cm-1 View
- 30 1335.53 cm-1 View
- 31 1373.43 cm-1 View
- 32 1386.66 cm-1 View
- 33 1392.17 cm-1 View
- 34 1405.45 cm-1 View
- 35 1412.65 cm-1 View
- 36 1433.43 cm-1 View
- 37 1476.68 cm-1 View
- 38 1756.34 cm-1 View
- 39 1874.30 cm-1 View
- 40 2351.85 cm-1 View
- 41 2983.45 cm-1 View
- 42 3040.83 cm-1 View
- 43 3045.29 cm-1 View
- 44 3054.94 cm-1 View
- 45 3059.59 cm-1 View
- 46 3066.63 cm-1 View
- 47 3115.63 cm-1 View
- 48 3116.70 cm-1 View
- 49 3157.76 cm-1 View
- 50 3808.44 cm-1 View
- 51 3947.45 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 0.00 | kJ mol-1 |
| Polar Solvation Energy | 0.00 | kJ mol-1 |
| Nonpolar Solvation Energy | 0.00 | kJ mol-1 |
| Surface Area | Å2 | |
| Charge of Molecule | -1 | |
| Dipole | 0.00 | Debye |