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All data (experiment and calculated) in the CCCBDB for C19H16 (Triphenylmethane)

1907021335
Other names
Methane, triphenyl-; Tritane; 1,1',1''-Methanetriyltribenzene;
INChI
InChI=1S/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H

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   353  
Energy 298.15K   6  
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   356  
HOMO-LUMO Energies HOMO energies   334  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  338  
Internal Coordinates bond lengths bond angles  338 
Products of moments of inertia moments of inertia  332 
Rotational Constants rotational constants  335 
Point Group  357 
Vibrations Vibrational Frequencies vibrations  314 
Vibrational Intensities  316 
Zero-point energies  314 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Raman frequencies and intensities   23  
Electronic States Electronic states x 0  
Electrostatics Atom charges   263  
Dipole dipole  338 
Quadrupole quadrupole  286 
Polarizability polarizability  295 
Other results Spin   0  
Number of basis functions   28  
Conformations   1