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

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

Other names
Spiro[2.2]pentane; Spiropentane;
INChI
InChI=1/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   210  
Energy 298.15K   182  
Atomization Enthalpy 298.15K x175x
Atomization Enthalpy 0K  180 
Entropy (298.15K) entropy x168x
Entropy at any temperature   168  
Integrated Heat Capacity integrated heat capacity  168 
Heat Capacity (Cp) Heat capacity x168x
Nuclear Repulsion Energy   197  
HOMO-LUMO Energies HOMO energies   192  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x171  
Internal Coordinates bond lengths bond angles x171x
Products of moments of inertia moments of inertia  186 
Rotational Constants rotational constants x190x
Point Group  191 
Vibrations Vibrational Frequencies vibrations x190x
Vibrational Intensities  190 
Zero-point energies x190x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   160  
Dipole dipole  163 
Quadrupole quadrupole  158 
Polarizability polarizability  139 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   1