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All data (experiment and calculated) in the CCCBDB for C5H10 (Cyclopentane)

1907021335
Other names
Cyclopentane; Pentamethylene;
INChI
InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2

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   229  
Energy 298.15K   153  
Atomization Enthalpy 298.15K x21x
Atomization Enthalpy 0K x27x
Entropy (298.15K) entropy x16x
Entropy at any temperature   16  
Integrated Heat Capacity integrated heat capacity x16x
Heat Capacity (Cp) Heat capacity x16x
Nuclear Repulsion Energy   222  
HOMO-LUMO Energies HOMO energies   208  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  203  
Internal Coordinates bond lengths bond angles x0x
Products of moments of inertia moments of inertia  209 
Rotational Constants rotational constants  217 
Point Group  225 
Vibrations Vibrational Frequencies vibrations fun. 215x
Vibrational Intensities  317 
Zero-point energies x215x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   173  
Dipole dipole  201 
Quadrupole quadrupole  191 
Polarizability polarizability x197x
Other results Spin   0  
Number of basis functions   28  
Conformations   2 x