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All data (experiment and calculated) in the CCCBDB for C7H12 (Norbornane)

1907021335
Other names
Bicyclo[2.2.1]heptane; Cyclohexane, 1,4-endo-methylene-; Norbornylane; Norcamphane; Norfenchane; Norsantane; 1,4-Endomethylenecyclohexane;
INChI
InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2

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      
Energy 0K   253  
Energy 298.15K   232  
Atomization Enthalpy 298.15K x145x
Atomization Enthalpy 0K  158 
Entropy (298.15K) entropy  151 
Entropy at any temperature   151  
Integrated Heat Capacity integrated heat capacity  151 
Heat Capacity (Cp) Heat capacity x151x
Nuclear Repulsion Energy   249  
HOMO-LUMO Energies HOMO energies   247  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  239  
Internal Coordinates bond lengths bond angles x238x
Products of moments of inertia moments of inertia x242x
Rotational Constants rotational constants x249x
Point Group  254 
Vibrations Vibrational Frequencies vibrations  230 
Vibrational Intensities  235 
Zero-point energies  230 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   0  
Electronic States Electronic states x 0  
Electrostatics Atom charges   175  
Dipole dipole x196x
Quadrupole quadrupole  185 
Polarizability polarizability  187 
Other results Spin   0  
Number of basis functions   4  
Conformations   1