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

All data (experiment and calculated) in the CCCBDB for C4H6(CH3)2 (dimethylcyclobutane)

Other names
Cyclobutane, 1,1-dimethyl-; 1,1-dimethylcyclobutane;
INChI
InChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   213  
Energy 298.15K   14  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   212  
HOMO-LUMO Energies HOMO energies   212  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  212  
Internal Coordinates bond lengths bond angles  0 
Products of moments of inertia moments of inertia  201 
Rotational Constants rotational constants  212 
Point Group  213 
Vibrations Vibrational Frequencies vibrations  220 
Vibrational Intensities  220 
Zero-point energies  220 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   137  
Dipole dipole  136 
Quadrupole quadrupole  131 
Polarizability polarizability  138 
Other results Spin   0  
Number of basis functions   4  
Diagnostics   0  
Conformations   2 x