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All data (experiment and calculated) in the CCCBDB for C5H8 (Cyclopentene)

1907021335
Other names
Cyclopentene;
INChI
InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2

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   251  
Energy 298.15K   250  
Atomization Enthalpy 298.15K x182x
Atomization Enthalpy 0K x180x
Entropy (298.15K) entropy x176x
Entropy at any temperature   176  
Integrated Heat Capacity integrated heat capacity x176x
Heat Capacity (Cp) Heat capacity x176x
Nuclear Repulsion Energy   235  
HOMO-LUMO Energies HOMO energies   231  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  212  
Internal Coordinates bond lengths bond angles x211x
Products of moments of inertia moments of inertia x229x
Rotational Constants rotational constants x234x
Point Group  234 
Vibrations Vibrational Frequencies vibrations fun. 230x
Vibrational Intensities  243 
Zero-point energies x230x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   0  
Electronic States Electronic states x 0  
Electrostatics Atom charges   178  
Dipole dipole x185x
Quadrupole quadrupole  178 
Polarizability polarizability  169 
Other results Spin   0  
Number of basis functions   7  
Conformations   1