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

All data (experiment and calculated) in the CCCBDB for C4H8 (cyclobutane)

Other names
Cyclobutane; Tetramethylene; UN 2601;
INChI
InChI=1/C4H8/c1-2-4-3-1/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   250  
Energy 298.15K   232  
Atomization Enthalpy 298.15K x225x
Atomization Enthalpy 0K x224x
Entropy (298.15K) entropy x194x
Entropy at any temperature   194  
Integrated Heat Capacity integrated heat capacity  194 
Heat Capacity (Cp) Heat capacity x194x
Nuclear Repulsion Energy   205  
HOMO-LUMO Energies HOMO energies   198  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  168  
Internal Coordinates bond lengths bond angles x0x
Products of moments of inertia moments of inertia  184 
Rotational Constants rotational constants x189x
Point Group  197 
Vibrations Vibrational Frequencies vibrations x186x
Vibrational Intensities  183 
Zero-point energies x186x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   163  
Dipole dipole  160 
Quadrupole quadrupole  153 
Polarizability polarizability  131 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   5  
Conformations   1