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

All data (experiment and calculated) in the CCCBDB for C12H8 (biphenylene)

Other names
Cyclobutadibenzene; Diphenylene; 1,1'-Biphenylene; Dibenzocyclobutadiene; biphenylene;
INChI
InChI=1S/C12H8/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H

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   416  
Energy 298.15K   16  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity x0x
Nuclear Repulsion Energy   415  
HOMO-LUMO Energies HOMO energies   158  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  410  
Internal Coordinates bond lengths bond angles x410x
Products of moments of inertia moments of inertia  390 
Rotational Constants rotational constants  402 
Point Group  416 
Vibrations Vibrational Frequencies vibrations  401 
Vibrational Intensities  401 
Zero-point energies  401 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   296  
Dipole dipole  354 
Quadrupole quadrupole  327 
Polarizability polarizability  297 
Other results Spin   0  
Number of basis functions   51  
Diagnostics   0  
Conformations   1