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 | 441.99 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 451.90 | 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 | 142.57 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 175.83 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.77 | J mol-1 K-1 |
| Rotational | 124.92 | J mol-1 K-1 |
| Vibrational | 188.47 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 482.16 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -551.28 | kJ mol-1 |
Molecular Orbitals
- 1 -2803.27 eV View
- 2 -547.44 eV View
- 3 -297.18 eV View
- 4 -296.30 eV View
- 5 -296.11 eV View
- 6 -295.26 eV View
- 7 -294.09 eV View
- 8 -265.69 eV View
- 9 -196.03 eV View
- 10 -196.00 eV View
- 11 -195.99 eV View
- 12 -31.41 eV View
- 13 -24.68 eV View
- 14 -22.29 eV View
- 15 -19.75 eV View
- 16 -18.62 eV View
- 17 -15.89 eV View
- 18 -13.92 eV View
- 19 -13.92 eV View
- 20 -12.29 eV View
- 21 -11.59 eV View
- 22 -11.31 eV View
- 23 -10.63 eV View
- 24 -9.85 eV View
- 25 -9.20 eV View
- 26 -9.01 eV View
- 27 -8.55 eV View
- 28 -7.70 eV View
- 29 -7.58 eV View
- 30 -7.39 eV View
- 31 -3.67 eV View
- 32 0.27 eV View
- 33 0.28 eV View
- 34 0.88 eV View
- 35 12.38 eV View
- 36 19.44 eV View
- 37 20.01 eV View
- 38 21.70 eV View
- 39 22.10 eV View
- 40 22.65 eV View
- 41 22.81 eV View
- 42 23.31 eV View
- 43 23.45 eV View
- 44 23.86 eV View
- 45 24.31 eV View
- 46 25.07 eV View
- 47 25.27 eV View
- 48 25.97 eV View
- 49 27.16 eV View
- 50 30.13 eV View
- 51 33.19 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 14.09 cm-1 View
- 2 37.94 cm-1 View
- 3 48.19 cm-1 View
- 4 77.47 cm-1 View
- 5 107.90 cm-1 View
- 6 126.26 cm-1 View
- 7 144.77 cm-1 View
- 8 174.13 cm-1 View
- 9 189.07 cm-1 View
- 10 238.81 cm-1 View
- 11 243.55 cm-1 View
- 12 322.89 cm-1 View
- 13 375.66 cm-1 View
- 14 419.83 cm-1 View
- 15 475.39 cm-1 View
- 16 514.33 cm-1 View
- 17 580.16 cm-1 View
- 18 794.69 cm-1 View
- 19 912.72 cm-1 View
- 20 940.01 cm-1 View
- 21 984.32 cm-1 View
- 22 1007.38 cm-1 View
- 23 1027.58 cm-1 View
- 24 1055.52 cm-1 View
- 25 1071.03 cm-1 View
- 26 1167.38 cm-1 View
- 27 1242.68 cm-1 View
- 28 1298.11 cm-1 View
- 29 1311.56 cm-1 View
- 30 1342.76 cm-1 View
- 31 1372.19 cm-1 View
- 32 1381.22 cm-1 View
- 33 1395.91 cm-1 View
- 34 1401.45 cm-1 View
- 35 1411.91 cm-1 View
- 36 1429.42 cm-1 View
- 37 1479.54 cm-1 View
- 38 1752.75 cm-1 View
- 39 1874.96 cm-1 View
- 40 2368.11 cm-1 View
- 41 3005.69 cm-1 View
- 42 3041.50 cm-1 View
- 43 3052.78 cm-1 View
- 44 3067.38 cm-1 View
- 45 3070.51 cm-1 View
- 46 3071.76 cm-1 View
- 47 3128.46 cm-1 View
- 48 3143.14 cm-1 View
- 49 3165.35 cm-1 View
- 50 3814.18 cm-1 View
- 51 3947.95 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 |