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 | 418.66 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 428.58 | 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 | 149.77 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 183.02 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 169.83 | J mol-1 K-1 |
| Rotational | 121.08 | J mol-1 K-1 |
| Vibrational | 162.09 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 453.01 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 1388.29 | kJ mol-1 |
Molecular Orbitals
- 1 -2169.78 eV View
- 2 -566.28 eV View
- 3 -563.07 eV View
- 4 -312.36 eV View
- 5 -312.05 eV View
- 6 -311.50 eV View
- 7 -310.61 eV View
- 8 -310.38 eV View
- 9 -218.03 eV View
- 10 -159.00 eV View
- 11 -158.98 eV View
- 12 -158.92 eV View
- 13 -48.94 eV View
- 14 -46.90 eV View
- 15 -39.41 eV View
- 16 -37.78 eV View
- 17 -35.11 eV View
- 18 -33.16 eV View
- 19 -31.59 eV View
- 20 -30.84 eV View
- 21 -30.01 eV View
- 22 -28.30 eV View
- 23 -27.53 eV View
- 24 -26.68 eV View
- 25 -25.70 eV View
- 26 -25.48 eV View
- 27 -25.25 eV View
- 28 -25.02 eV View
- 29 -24.29 eV View
- 30 -23.75 eV View
- 31 -22.61 eV View
- 32 -21.30 eV View
- 33 -20.70 eV View
- 34 -19.95 eV View
- 35 -19.40 eV View
- 36 -7.04 eV View
- 37 -2.54 eV View
- 38 -1.35 eV View
- 39 -0.02 eV View
- 40 1.17 eV View
- 41 3.60 eV View
- 42 4.94 eV View
- 43 6.21 eV View
- 44 6.95 eV View
- 45 7.08 eV View
- 46 7.79 eV View
- 47 8.52 eV View
- 48 9.53 eV View
- 49 10.17 eV View
- 50 11.41 eV View
- 51 11.93 eV View
- 52 13.28 eV View
- 53 14.05 eV View
- 54 15.99 eV View
- 55 16.97 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
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| Balls |
|
- 1 34.96 cm-1 View
- 2 71.18 cm-1 View
- 3 80.87 cm-1 View
- 4 95.95 cm-1 View
- 5 115.29 cm-1 View
- 6 153.17 cm-1 View
- 7 161.55 cm-1 View
- 8 187.75 cm-1 View
- 9 247.90 cm-1 View
- 10 281.49 cm-1 View
- 11 302.56 cm-1 View
- 12 382.86 cm-1 View
- 13 387.65 cm-1 View
- 14 492.50 cm-1 View
- 15 545.11 cm-1 View
- 16 558.54 cm-1 View
- 17 610.50 cm-1 View
- 18 652.62 cm-1 View
- 19 686.68 cm-1 View
- 20 728.70 cm-1 View
- 21 792.02 cm-1 View
- 22 931.21 cm-1 View
- 23 947.91 cm-1 View
- 24 970.88 cm-1 View
- 25 974.59 cm-1 View
- 26 1000.02 cm-1 View
- 27 1025.28 cm-1 View
- 28 1109.80 cm-1 View
- 29 1130.41 cm-1 View
- 30 1137.57 cm-1 View
- 31 1174.50 cm-1 View
- 32 1184.15 cm-1 View
- 33 1298.42 cm-1 View
- 34 1309.86 cm-1 View
- 35 1313.14 cm-1 View
- 36 1327.00 cm-1 View
- 37 1382.97 cm-1 View
- 38 1678.68 cm-1 View
- 39 1745.48 cm-1 View
- 40 1751.92 cm-1 View
- 41 2955.41 cm-1 View
- 42 2961.08 cm-1 View
- 43 3032.37 cm-1 View
- 44 3062.24 cm-1 View
- 45 3063.24 cm-1 View
- 46 3065.38 cm-1 View
- 47 3067.69 cm-1 View
- 48 3075.21 cm-1 View
- 49 3097.53 cm-1 View
- 50 3693.19 cm-1 View
- 51 3867.47 cm-1 View