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

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

Other names
Cyclopentane; Pentamethylene; UN 1146;

An "x" indicates that data is available. A number indicates how many calculations have been completed.
Property Experiment Calculated Comparison
Enthalpy 298.15K enthalpy of formation x    
Enthalpy 0K enthalpy of formation x    
Energy 0K   185  
Energy 298.15K   157  
Atomization Enthalpy 298.15K x151x
Atomization Enthalpy 0K x158x
Entropy (298.15K) entropy x146x
Entropy at any temperature   146  
Integrated Heat Capacity integrated heat capacity x146x
Heat Capacity (Cp) Heat capacity x146x
Nuclear Repulsion Energy   178  
HOMO-LUMO Energies HOMO energies   72  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  157  
Internal Coordinates bond lengths bond angles x0x
Products of moments of inertia moments of inertia  167 
Rotational Constants rotational constants  172 
Point Group  173 
Vibrations Vibrational Frequencies vibrations x172x
Vibrational Intensities  172 
Zero-point energies x172x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   143  
Dipole dipole  145 
Quadrupole quadrupole  140 
Polarizability polarizability  127 
Other results Spin   0  
Number of basis functions   5  
Diagnostics   4  
Conformations   2 x