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All data (experiment and calculated) in the CCCBDB for C6H10 (cyclohexene)

1907021335
Other names
Benzene tetrahydride; Cyclohex-1-ene; Cykloheksen; Benzene, tetrahydro-; 1,2,3,4-Tetrahydrobenzene; 1-Cyclohexene; Tetrahydrobenzene; Hexanaphthylene; cyclohexene;
INChI
InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2

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   220  
Energy 298.15K   208  
Atomization Enthalpy 298.15K x139x
Atomization Enthalpy 0K  144 
Entropy (298.15K) entropy x137x
Entropy at any temperature   137  
Integrated Heat Capacity integrated heat capacity  137 
Heat Capacity (Cp) Heat capacity x137x
Nuclear Repulsion Energy   212  
HOMO-LUMO Energies HOMO energies   212  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  197  
Internal Coordinates bond lengths bond angles x196x
Products of moments of inertia moments of inertia x204x
Rotational Constants rotational constants x208x
Point Group  216 
Vibrations Vibrational Frequencies vibrations  203 
Vibrational Intensities  219 
Zero-point energies  203 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   0  
Electronic States Electronic states x 0  
Electrostatics Atom charges   148  
Dipole dipole x155x
Quadrupole quadrupole  149 
Polarizability polarizability  99 
Other results Spin   0  
Number of basis functions   5  
Conformations   1