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All data (experiment and calculated) in the CCCBDB for C6H10 (Cyclopentene, 3-methyl-)

1907021335
Other names
3-Methylcyclopentene; Cyclopentene, 3-methyl-; 3-methylcyclopent-1-ene;
INChI
InChI=1S/C6H10/c1-6-4-2-3-5-6/h2,4,6H,3,5H2,1H3

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   215  
Energy 298.15K   213  
Atomization Enthalpy 298.15K x154x
Atomization Enthalpy 0K  154 
Entropy (298.15K) entropy  146 
Entropy at any temperature   146  
Integrated Heat Capacity integrated heat capacity  146 
Heat Capacity (Cp) Heat capacity x146x
Nuclear Repulsion Energy   204  
HOMO-LUMO Energies HOMO energies   203  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  182  
Internal Coordinates bond lengths bond angles  181 
Products of moments of inertia moments of inertia  200 
Rotational Constants rotational constants  205 
Point Group  206 
Vibrations Vibrational Frequencies vibrations  203 
Vibrational Intensities  212 
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   174  
Dipole dipole  179 
Quadrupole quadrupole  173 
Polarizability polarizability  163 
Other results Spin   0  
Number of basis functions   5  
Conformations   1