7-oxabicyclo[2.2.1]heptane
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 | 400.79 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 410.70 | 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 | 67.84 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 101.10 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 165.94 | J mol-1 K-1 |
| Rotational | 111.22 | J mol-1 K-1 |
| Vibrational | 31.25 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 308.40 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -168.08 | kJ mol-1 |
Molecular Orbitals
- 1 -550.87 eV View
- 2 -301.57 eV View
- 3 -301.57 eV View
- 4 -300.47 eV View
- 5 -300.47 eV View
- 6 -300.46 eV View
- 7 -300.46 eV View
- 8 -35.63 eV View
- 9 -27.96 eV View
- 10 -26.37 eV View
- 11 -25.92 eV View
- 12 -21.48 eV View
- 13 -20.05 eV View
- 14 -19.63 eV View
- 15 -17.90 eV View
- 16 -16.41 eV View
- 17 -16.17 eV View
- 18 -14.23 eV View
- 19 -14.15 eV View
- 20 -12.72 eV View
- 21 -12.63 eV View
- 22 -12.53 eV View
- 23 -11.83 eV View
- 24 -11.74 eV View
- 25 -10.57 eV View
- 26 -10.38 eV View
- 27 -8.87 eV View
- 28 13.38 eV View
- 29 15.14 eV View
- 30 15.70 eV View
- 31 15.81 eV View
- 32 17.69 eV View
- 33 17.81 eV View
- 34 18.10 eV View
- 35 18.27 eV View
- 36 18.62 eV View
- 37 19.18 eV View
- 38 19.74 eV View
- 39 19.74 eV View
- 40 20.25 eV View
- 41 20.49 eV View
- 42 21.49 eV View
- 43 22.48 eV View
- 44 22.92 eV View
- 45 23.73 eV View
Vibrational Frequencies
| Vibration |
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| Vectors |
|
| Balls |
|
- 1 196.47 cm-1 View
- 2 366.03 cm-1 View
- 3 426.67 cm-1 View
- 4 546.90 cm-1 View
- 5 612.24 cm-1 View
- 6 761.64 cm-1 View
- 7 802.80 cm-1 View
- 8 820.39 cm-1 View
- 9 834.57 cm-1 View
- 10 908.68 cm-1 View
- 11 911.81 cm-1 View
- 12 941.95 cm-1 View
- 13 975.93 cm-1 View
- 14 1007.47 cm-1 View
- 15 1018.96 cm-1 View
- 16 1034.85 cm-1 View
- 17 1034.90 cm-1 View
- 18 1045.08 cm-1 View
- 19 1076.89 cm-1 View
- 20 1106.77 cm-1 View
- 21 1107.90 cm-1 View
- 22 1111.45 cm-1 View
- 23 1127.42 cm-1 View
- 24 1199.95 cm-1 View
- 25 1215.16 cm-1 View
- 26 1223.94 cm-1 View
- 27 1251.64 cm-1 View
- 28 1273.11 cm-1 View
- 29 1288.97 cm-1 View
- 30 1300.07 cm-1 View
- 31 1348.82 cm-1 View
- 32 1402.92 cm-1 View
- 33 1415.52 cm-1 View
- 34 1422.25 cm-1 View
- 35 1431.98 cm-1 View
- 36 2997.67 cm-1 View
- 37 3001.51 cm-1 View
- 38 3004.86 cm-1 View
- 39 3005.28 cm-1 View
- 40 3015.36 cm-1 View
- 41 3017.89 cm-1 View
- 42 3080.63 cm-1 View
- 43 3082.13 cm-1 View
- 44 3083.93 cm-1 View
- 45 3084.97 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 3.89 | kJ mol-1 |
| Polar Solvation Energy | -9.83 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.71 | kJ mol-1 |
| Surface Area | 97.18 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 1.95 | Debye |