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

1907021335
Other names
Spiro[2.2]pentane; Spiropentane;
INChI
InChI=1S/C5H8/c1-2-5(1)3-4-5/h1-4H2

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   237  
Energy 298.15K   228  
Atomization Enthalpy 298.15K x167x
Atomization Enthalpy 0K  171 
Entropy (298.15K) entropy x161x
Entropy at any temperature   161  
Integrated Heat Capacity integrated heat capacity  161 
Heat Capacity (Cp) Heat capacity x161x
Nuclear Repulsion Energy   219  
HOMO-LUMO Energies HOMO energies   219  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x196  
Internal Coordinates bond lengths bond angles x195x
Products of moments of inertia moments of inertia  213 
Rotational Constants rotational constants x217x
Point Group  218 
Vibrations Vibrational Frequencies vibrations fun. 215x
Vibrational Intensities  228 
Zero-point energies x215x
Vibrational scaling factors x
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   184  
Dipole dipole  189 
Quadrupole quadrupole  182 
Polarizability polarizability x169x
Other results Spin   0  
Number of basis functions   6  
Conformations   1