(1s,5r)-3,7,7-trimethylbicyclo[3.1.1]hept-3-ene
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 | 634.79 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 644.70 | 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 | 142.72 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 175.98 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 170.03 | J mol-1 K-1 |
| Rotational | 121.93 | J mol-1 K-1 |
| Vibrational | 106.33 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 398.29 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | 31.45 | kJ mol-1 |
Molecular Orbitals
- 1 -300.44 eV View
- 2 -300.43 eV View
- 3 -300.35 eV View
- 4 -300.27 eV View
- 5 -300.24 eV View
- 6 -300.08 eV View
- 7 -299.99 eV View
- 8 -299.96 eV View
- 9 -299.76 eV View
- 10 -299.38 eV View
- 11 -30.76 eV View
- 12 -27.81 eV View
- 13 -26.15 eV View
- 14 -25.55 eV View
- 15 -24.43 eV View
- 16 -23.58 eV View
- 17 -21.36 eV View
- 18 -21.03 eV View
- 19 -19.14 eV View
- 20 -17.08 eV View
- 21 -16.63 eV View
- 22 -15.90 eV View
- 23 -15.43 eV View
- 24 -15.13 eV View
- 25 -14.67 eV View
- 26 -14.32 eV View
- 27 -13.86 eV View
- 28 -13.72 eV View
- 29 -13.55 eV View
- 30 -13.10 eV View
- 31 -13.09 eV View
- 32 -12.29 eV View
- 33 -12.04 eV View
- 34 -11.24 eV View
- 35 -10.28 eV View
- 36 -10.17 eV View
- 37 -9.51 eV View
- 38 -7.15 eV View
- 39 8.42 eV View
- 40 14.58 eV View
- 41 15.28 eV View
- 42 15.52 eV View
- 43 16.27 eV View
- 44 16.64 eV View
- 45 17.13 eV View
- 46 17.74 eV View
- 47 18.61 eV View
- 48 19.15 eV View
- 49 19.27 eV View
- 50 19.40 eV View
- 51 19.49 eV View
- 52 19.62 eV View
- 53 19.86 eV View
- 54 20.06 eV View
- 55 20.43 eV View
- 56 20.55 eV View
- 57 20.74 eV View
- 58 20.93 eV View
- 59 21.11 eV View
- 60 21.41 eV View
- 61 21.65 eV View
- 62 22.02 eV View
- 63 22.94 eV View
- 64 24.47 eV View
- 65 26.48 eV View
- 66 29.19 eV View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 20.65 | kJ mol-1 |
| Polar Solvation Energy | -2.59 | kJ mol-1 |
| Nonpolar Solvation Energy | 23.24 | kJ mol-1 |
| Surface Area | 117.50 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.44 | Debye |