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

All data (experiment and calculated) in the CCCBDB for C4H8O (Cyclobutanol)

Other names
Cyclobutanol; Cyclobutyl hydroxide;
INChI
InChI=1/C4H8O/c5-4-2-1-3-4/h4-5H,1-3H2

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      
Energy 0K   241  
Energy 298.15K   214  
Atomization Enthalpy 298.15K x198x
Atomization Enthalpy 0K  198 
Entropy (298.15K) entropy  196 
Entropy at any temperature   196  
Integrated Heat Capacity integrated heat capacity  196 
Heat Capacity (Cp) Heat capacity x196x
Nuclear Repulsion Energy   231  
HOMO-LUMO Energies HOMO energies   227  
Barriers to Internal Rotation internal rotation  13 
Geometries Cartesians  207  
Internal Coordinates bond lengths bond angles  207 
Products of moments of inertia moments of inertia x218x
Rotational Constants rotational constants x224x
Point Group  232 
Vibrations Vibrational Frequencies vibrations x222x
Vibrational Intensities  218 
Zero-point energies x222x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Electronic States Electronic states x 0  
Electrostatics Atom charges   162  
Dipole dipole  164 
Quadrupole quadrupole  159 
Polarizability polarizability  166 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   1