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All data (experiment and calculated) in the CCCBDB for C18H12 (Tetracene)

1907021335
Other names
Naphthacene; 2,3-Benzanthracene; Benzo[b]anthracene; Chrysogen;
INChI
InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H

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   6  
Energy 298.15K   0  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy x0x
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   6  
HOMO-LUMO Energies HOMO energies   4  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  5  
Internal Coordinates bond lengths bond angles  5 
Products of moments of inertia moments of inertia  5 
Rotational Constants rotational constants  5 
Point Group  7 
Vibrations Vibrational Frequencies vibrations  3 
Vibrational Intensities  3 
Zero-point energies  3 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   5  
Dipole dipole  5 
Quadrupole quadrupole  5 
Polarizability polarizability x5x
Other results Spin   0  
Number of basis functions   0  
Conformations   1