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

1907021335
Other names
Cyclobutane, methylene-; Methylenecyclobutane;
INChI
InChI=1S/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   253  
Energy 298.15K   245  
Atomization Enthalpy 298.15K x178x
Atomization Enthalpy 0K x179x
Entropy (298.15K) entropy x175x
Entropy at any temperature   175  
Integrated Heat Capacity integrated heat capacity x175x
Heat Capacity (Cp) Heat capacity x175x
Nuclear Repulsion Energy   242  
HOMO-LUMO Energies HOMO energies   225  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  216  
Internal Coordinates bond lengths bond angles x0x
Products of moments of inertia moments of inertia x236x
Rotational Constants rotational constants x241x
Point Group  242 
Vibrations Vibrational Frequencies vibrations  237 
Vibrational Intensities  253 
Zero-point energies  237 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   4  
Electronic States Electronic states x 0  
Electrostatics Atom charges   184  
Dipole dipole x195x
Quadrupole quadrupole x186x
Polarizability polarizability  170 
Other results Spin   0  
Number of basis functions   6  
Conformations   1