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All data (experiment and calculated) in the CCCBDB for C5H10 (Cyclopropane, 1,1-dimethyl-)

1907021335
Other names
1,1-Dimethylcyclopropane; Cyclopropane, 1,1-dimethyl-; Gem-Dimethylcyclopropane;
INChI
InChI=1S/C5H10/c1-5(2)3-4-5/h3-4H2,1-2H3

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   247  
Energy 298.15K   243  
Atomization Enthalpy 298.15K x174x
Atomization Enthalpy 0K x174x
Entropy (298.15K) entropy x169x
Entropy at any temperature   169  
Integrated Heat Capacity integrated heat capacity x169x
Heat Capacity (Cp) Heat capacity x169x
Nuclear Repulsion Energy   230  
HOMO-LUMO Energies HOMO energies   160  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  208  
Internal Coordinates bond lengths bond angles x207x
Products of moments of inertia moments of inertia x224x
Rotational Constants rotational constants x229x
Point Group  230 
Vibrations Vibrational Frequencies vibrations fun. 227x
Vibrational Intensities  241 
Zero-point energies  227 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   0  
Electronic States Electronic states x 0  
Electrostatics Atom charges   174  
Dipole dipole x184x
Quadrupole quadrupole  177 
Polarizability polarizability  167 
Other results Spin   0  
Number of basis functions   7  
Conformations   1