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 | 443.21 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 453.13 | 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 | 139.62 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 172.88 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 168.77 | J mol-1 K-1 |
| Rotational | 125.54 | J mol-1 K-1 |
| Vibrational | 176.13 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 470.44 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -553.87 | kJ mol-1 |
Molecular Orbitals
- 1 -2803.27 eV View
- 2 -547.54 eV View
- 3 -297.18 eV View
- 4 -296.34 eV View
- 5 -296.15 eV View
- 6 -295.20 eV View
- 7 -294.07 eV View
- 8 -265.69 eV View
- 9 -196.03 eV View
- 10 -196.00 eV View
- 11 -195.99 eV View
- 12 -31.50 eV View
- 13 -24.71 eV View
- 14 -22.19 eV View
- 15 -20.05 eV View
- 16 -18.35 eV View
- 17 -15.85 eV View
- 18 -14.16 eV View
- 19 -13.99 eV View
- 20 -12.48 eV View
- 21 -11.59 eV View
- 22 -11.04 eV View
- 23 -10.67 eV View
- 24 -9.74 eV View
- 25 -9.37 eV View
- 26 -9.03 eV View
- 27 -8.60 eV View
- 28 -7.68 eV View
- 29 -7.66 eV View
- 30 -7.37 eV View
- 31 -3.67 eV View
- 32 0.27 eV View
- 33 0.28 eV View
- 34 0.90 eV View
- 35 12.46 eV View
- 36 19.41 eV View
- 37 19.83 eV View
- 38 21.45 eV View
- 39 22.14 eV View
- 40 22.34 eV View
- 41 22.63 eV View
- 42 23.10 eV View
- 43 23.50 eV View
- 44 24.12 eV View
- 45 24.69 eV View
- 46 25.10 eV View
- 47 25.29 eV View
- 48 25.97 eV View
- 49 27.21 eV View
- 50 30.24 eV View
- 51 33.44 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 17.40 cm-1 View
- 2 37.99 cm-1 View
- 3 50.97 cm-1 View
- 4 88.83 cm-1 View
- 5 103.35 cm-1 View
- 6 152.08 cm-1 View
- 7 159.19 cm-1 View
- 8 206.08 cm-1 View
- 9 225.70 cm-1 View
- 10 265.81 cm-1 View
- 11 312.64 cm-1 View
- 12 342.44 cm-1 View
- 13 423.41 cm-1 View
- 14 429.18 cm-1 View
- 15 492.18 cm-1 View
- 16 538.06 cm-1 View
- 17 572.74 cm-1 View
- 18 829.83 cm-1 View
- 19 917.77 cm-1 View
- 20 944.01 cm-1 View
- 21 990.57 cm-1 View
- 22 1010.55 cm-1 View
- 23 1055.33 cm-1 View
- 24 1060.52 cm-1 View
- 25 1074.17 cm-1 View
- 26 1186.87 cm-1 View
- 27 1260.00 cm-1 View
- 28 1296.24 cm-1 View
- 29 1312.61 cm-1 View
- 30 1343.92 cm-1 View
- 31 1372.35 cm-1 View
- 32 1377.44 cm-1 View
- 33 1396.94 cm-1 View
- 34 1400.11 cm-1 View
- 35 1431.91 cm-1 View
- 36 1468.20 cm-1 View
- 37 1483.01 cm-1 View
- 38 1752.58 cm-1 View
- 39 1874.37 cm-1 View
- 40 2346.23 cm-1 View
- 41 3004.04 cm-1 View
- 42 3031.48 cm-1 View
- 43 3045.20 cm-1 View
- 44 3047.30 cm-1 View
- 45 3054.77 cm-1 View
- 46 3071.48 cm-1 View
- 47 3127.00 cm-1 View
- 48 3128.41 cm-1 View
- 49 3146.66 cm-1 View
- 50 3813.56 cm-1 View
- 51 3954.93 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 |