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 | 536.82 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 546.74 | 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 | 132.38 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 165.64 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.11 | J mol-1 K-1 |
| Rotational | 124.42 | J mol-1 K-1 |
| Vibrational | 108.78 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 403.32 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 650.89 | kJ mol-1 |
Molecular Orbitals
- 1 -564.11 eV View
- 2 -309.06 eV View
- 3 -305.80 eV View
- 4 -305.13 eV View
- 5 -304.89 eV View
- 6 -304.78 eV View
- 7 -304.45 eV View
- 8 -304.44 eV View
- 9 -304.44 eV View
- 10 -304.32 eV View
- 11 -45.81 eV View
- 12 -34.85 eV View
- 13 -33.20 eV View
- 14 -30.86 eV View
- 15 -30.44 eV View
- 16 -28.91 eV View
- 17 -27.82 eV View
- 18 -25.94 eV View
- 19 -25.50 eV View
- 20 -25.10 eV View
- 21 -23.41 eV View
- 22 -22.52 eV View
- 23 -21.68 eV View
- 24 -21.01 eV View
- 25 -20.15 eV View
- 26 -19.78 eV View
- 27 -19.05 eV View
- 28 -18.84 eV View
- 29 -18.55 eV View
- 30 -17.47 eV View
- 31 -17.20 eV View
- 32 -16.71 eV View
- 33 -16.61 eV View
- 34 -16.06 eV View
- 35 -15.97 eV View
- 36 -12.06 eV View
- 37 -11.97 eV View
- 38 1.78 eV View
- 39 3.05 eV View
- 40 4.91 eV View
- 41 7.32 eV View
- 42 9.18 eV View
- 43 9.62 eV View
- 44 10.60 eV View
- 45 11.57 eV View
- 46 12.50 eV View
- 47 12.63 eV View
- 48 13.43 eV View
- 49 13.45 eV View
- 50 14.11 eV View
- 51 14.68 eV View
- 52 15.33 eV View
- 53 15.67 eV View
- 54 16.09 eV View
- 55 16.43 eV View
- 56 16.92 eV View
- 57 17.04 eV View
- 58 19.50 eV View
- 59 19.58 eV View
- 60 20.10 eV View
- 61 20.45 eV View
- 62 25.32 eV View
- 63 26.73 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 20.27 cm-1 View
- 2 57.55 cm-1 View
- 3 90.93 cm-1 View
- 4 129.10 cm-1 View
- 5 188.05 cm-1 View
- 6 220.10 cm-1 View
- 7 262.17 cm-1 View
- 8 303.97 cm-1 View
- 9 350.25 cm-1 View
- 10 380.29 cm-1 View
- 11 441.59 cm-1 View
- 12 495.80 cm-1 View
- 13 559.22 cm-1 View
- 14 622.45 cm-1 View
- 15 630.89 cm-1 View
- 16 667.37 cm-1 View
- 17 783.84 cm-1 View
- 18 805.16 cm-1 View
- 19 836.95 cm-1 View
- 20 874.86 cm-1 View
- 21 919.38 cm-1 View
- 22 942.51 cm-1 View
- 23 960.24 cm-1 View
- 24 983.44 cm-1 View
- 25 1013.58 cm-1 View
- 26 1027.72 cm-1 View
- 27 1036.47 cm-1 View
- 28 1048.54 cm-1 View
- 29 1069.55 cm-1 View
- 30 1102.71 cm-1 View
- 31 1110.02 cm-1 View
- 32 1133.46 cm-1 View
- 33 1146.73 cm-1 View
- 34 1152.44 cm-1 View
- 35 1154.89 cm-1 View
- 36 1172.35 cm-1 View
- 37 1212.99 cm-1 View
- 38 1245.41 cm-1 View
- 39 1300.91 cm-1 View
- 40 1350.48 cm-1 View
- 41 1373.66 cm-1 View
- 42 1389.33 cm-1 View
- 43 1398.43 cm-1 View
- 44 1401.03 cm-1 View
- 45 1413.75 cm-1 View
- 46 1538.00 cm-1 View
- 47 1586.15 cm-1 View
- 48 1629.46 cm-1 View
- 49 1764.24 cm-1 View
- 50 1771.81 cm-1 View
- 51 2842.18 cm-1 View
- 52 2936.15 cm-1 View
- 53 3004.28 cm-1 View
- 54 3015.07 cm-1 View
- 55 3035.62 cm-1 View
- 56 3039.60 cm-1 View
- 57 3051.09 cm-1 View
- 58 3060.33 cm-1 View
- 59 3073.66 cm-1 View
- 60 3083.76 cm-1 View
- 61 3174.13 cm-1 View
- 62 3583.93 cm-1 View
- 63 3765.30 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | -180.59 | kJ mol-1 |
| Polar Solvation Energy | -206.66 | kJ mol-1 |
| Nonpolar Solvation Energy | 26.04 | kJ mol-1 |
| Surface Area | 124.53 | Å2 |
| Charge of Molecule | 1 | |
| Dipole | 6.98 | Debye |