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

All data (experiment and calculated) in the CCCBDB for C2Cl4 (Tetrachloroethylene)

Other names
1,1,2,2-Tetrachloroethene; 1,1,2,2-Tetrachloroethylene; Ankilostin; Antisal 1; Antisol 1; Carbon bichloride; Carbon dichloride; Czterochloroetylen; Didakene; Dilatin PT; Dow-per; ENT 1,860; Ethene, tetrachloro-; Ethylene tetrachloride; Ethylene, tetrachloro-; Fedal-Un; Freon 1110; NCI-C04580; Nema; Nema, veterinary; PER; Perawin; PERC; Perchloorethyleen, per; Perchlor; Perchloraethylen, per; Perchlorethylene; Perchlorethylene, per; Perchloroethylene; Perclene; Perclene D; Percloroetilene; Percosolve; Perk; Perklone; PerSec; Rcra waste number U210; Tetlen; Tetracap; Tetrachlooretheen; Tetrachloraethen; Tetrachlorethylene; Tetrachloroethane; Tetrachloroethene; Tetrachloroethylene; Tetrachloroethylene mos; Tetracloroetene; Tetraguer; Tetraleno; Tetralex; Tetravec; Tetroguer; Tetropil; UN 1897; perchloroethene;
INChI
InChI=1/C2Cl4/c3-1(4)2(5)6

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   185  
Energy 298.15K   172  
Atomization Enthalpy 298.15K x167x
Atomization Enthalpy 0K x171x
Entropy (298.15K) entropy x169x
Entropy at any temperature   169  
Integrated Heat Capacity integrated heat capacity x168x
Heat Capacity (Cp) Heat capacity x168x
Nuclear Repulsion Energy   167  
HOMO-LUMO Energies HOMO energies   158  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  149  
Internal Coordinates bond lengths bond angles x149x
Products of moments of inertia moments of inertia  159 
Rotational Constants rotational constants  163 
Point Group  165 
Vibrations Vibrational Frequencies vibrations x162x
Vibrational Intensities  161 
Zero-point energies x162x
Vibrational scaling factors x
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   139  
Dipole dipole x141x
Quadrupole quadrupole  138 
Polarizability polarizability  124 
Other results Spin   0  
Number of basis functions   24  
Diagnostics   4  
Conformations   1