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

All data (experiment and calculated) in the CCCBDB for CCl4 (Carbon tetrachloride)

Other names
Benzenoform; Benzinoform; Carbon chloride; Carbon chloride (CCl4); Carbon tet; Carbon Tetrachloride; Carbona; Chlorid uhlicity; Czterochlorek wegla; ENT 27164; ENT 4,705; Fasciolin; Flukoids; Freon 10; Halon 104; Methane tetrachloride; Methane, tetrachloro-; Necatorina; Necatorine; Perchloromethane; R 10; Rcra waste number U211; Tetrachloorkoolstof; Tetrachloormetaan; Tetrachlorkohlenstoff, tetra; Tetrachlormethan; Tetrachlorocarbon; Tetrachloromethane; Tetrachlorure de carbone; Tetraclorometano; Tetracloruro di carbonio; Tetrafinol; Tetraform; Tetrasol; UN 1846; Vermoestricid; Univerm;
INChI
InChI=1/CCl4/c2-1(3,4)5

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   222  
Energy 298.15K   195  
Atomization Enthalpy 298.15K x188x
Atomization Enthalpy 0K x192x
Entropy (298.15K) entropy x187x
Entropy at any temperature   187  
Integrated Heat Capacity integrated heat capacity x187x
Heat Capacity (Cp) Heat capacity x187x
Nuclear Repulsion Energy   200  
HOMO-LUMO Energies HOMO energies   186  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x184  
Internal Coordinates bond lengths bond angles x184x
Products of moments of inertia moments of inertia x190x
Rotational Constants rotational constants x195x
Point Group  196 
Vibrations Vibrational Frequencies vibrations x195x
Vibrational Intensities  193 
Zero-point energies x195x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   153  
Dipole dipole x155x
Quadrupole quadrupole  149 
Polarizability polarizability x138x
Other results Spin   0  
Number of basis functions   5  
Diagnostics   4  
Conformations   1