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I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for C5H8 (Cyclobutane, methylene-)

Other names
Cyclobutane, methylene-; Methylenecyclobutane;
INChI
InChI=1/C5H8/c1-5-3-2-4-5/h1-4H2

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Energies
Entropies
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   227  
Energy 298.15K   199  
Atomization Enthalpy 298.15K x190x
Atomization Enthalpy 0K x192x
Entropy (298.15K) entropy x186x
Entropy at any temperature   186  
Integrated Heat Capacity integrated heat capacity x186x
Heat Capacity (Cp) Heat capacity x186x
Nuclear Repulsion Energy   221  
HOMO-LUMO Energies HOMO energies   196  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  197  
Internal Coordinates bond lengths bond angles x0x
Products of moments of inertia moments of inertia x210x
Rotational Constants rotational constants x215x
Point Group  216 
Vibrations Vibrational Frequencies vibrations  214 
Vibrational Intensities  213 
Zero-point energies  214 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   158  
Dipole dipole x164x
Quadrupole quadrupole x159x
Polarizability polarizability  136 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   1