Cyclobutane
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 | 293.13 | kJ mol-1 |
| Total (Trans. + Rot. + Vib.) | 303.04 | 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 | 34.14 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 67.40 | J mol-1 K-1 |
| Entropy | ||
| Property | Value | Unit |
| Translational | 158.96 | J mol-1 K-1 |
| Rotational | 98.85 | J mol-1 K-1 |
| Vibrational | 15.68 | J mol-1 K-1 |
| Total (Trans. + Rot. + Vib.) | 273.50 | J mol-1 K-1 |
| Other Properties | ||
| Property | Value | Unit |
| Heat of Formation | -15.81 | kJ mol-1 |
Molecular Orbitals
- 1 -300.19 eV View
- 2 -300.18 eV View
- 3 -300.18 eV View
- 4 -300.17 eV View
- 5 -29.31 eV View
- 6 -23.32 eV View
- 7 -23.32 eV View
- 8 -19.09 eV View
- 9 -16.90 eV View
- 10 -16.43 eV View
- 11 -13.66 eV View
- 12 -13.66 eV View
- 13 -12.41 eV View
- 14 -11.09 eV View
- 15 -10.70 eV View
- 16 -10.70 eV View
- 17 14.57 eV View
- 18 16.06 eV View
- 19 16.06 eV View
- 20 17.92 eV View
- 21 17.99 eV View
- 22 19.64 eV View
- 23 19.64 eV View
- 24 20.46 eV View
- 25 20.46 eV View
- 26 20.94 eV View
- 27 24.50 eV View
- 28 25.22 eV View
Vibrational Frequencies
| Vibration |
|
| Vectors |
|
| Balls |
|
- 1 199.29 cm-1 View
- 2 794.46 cm-1 View
- 3 802.38 cm-1 View
- 4 847.51 cm-1 View
- 5 847.77 cm-1 View
- 6 982.56 cm-1 View
- 7 1011.70 cm-1 View
- 8 1011.71 cm-1 View
- 9 1038.30 cm-1 View
- 10 1040.94 cm-1 View
- 11 1107.25 cm-1 View
- 12 1107.25 cm-1 View
- 13 1143.53 cm-1 View
- 14 1195.05 cm-1 View
- 15 1209.04 cm-1 View
- 16 1260.08 cm-1 View
- 17 1289.87 cm-1 View
- 18 1289.88 cm-1 View
- 19 1410.18 cm-1 View
- 20 1416.11 cm-1 View
- 21 1416.13 cm-1 View
- 22 1458.93 cm-1 View
- 23 3027.19 cm-1 View
- 24 3040.21 cm-1 View
- 25 3040.21 cm-1 View
- 26 3056.10 cm-1 View
- 27 3108.77 cm-1 View
- 28 3108.79 cm-1 View
- 29 3110.10 cm-1 View
- 30 3113.18 cm-1 View
Aqueous Solvation Energy at 298.15 K
| Surface |
|
| Dipole |
|
| Translucent Molecule |
|
| Property | Value | Unit |
| Total Solvation Energy | 12.79 | kJ mol-1 |
| Polar Solvation Energy | -0.89 | kJ mol-1 |
| Nonpolar Solvation Energy | 13.67 | kJ mol-1 |
| Surface Area | 74.31 | Å2 |
| Charge of Molecule | 0 | |
| Dipole | 0.00 | Debye |