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

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

Other names
Cyclopentene;
INChI
InChI=1/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   235  
Energy 298.15K   205  
Atomization Enthalpy 298.15K x196x
Atomization Enthalpy 0K x195x
Entropy (298.15K) entropy x189x
Entropy at any temperature   189  
Integrated Heat Capacity integrated heat capacity x189x
Heat Capacity (Cp) Heat capacity x189x
Nuclear Repulsion Energy   225  
HOMO-LUMO Energies HOMO energies   211  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  198  
Internal Coordinates bond lengths bond angles x198x
Products of moments of inertia moments of inertia x212x
Rotational Constants rotational constants x218x
Point Group  219 
Vibrations Vibrational Frequencies vibrations x214x
Vibrational Intensities  213 
Zero-point energies x214x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   162  
Dipole dipole x166x
Quadrupole quadrupole  161 
Polarizability polarizability  145 
Other results Spin   0  
Number of basis functions   7  
Diagnostics   4  
Conformations   1