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

All data (experiment and calculated) in the CCCBDB for CFCl3 (Trichloromonofluoromethane)

Other names
Algofrene Type 1; Arcton 11; Arcton 9; Chlorofluoromethane (CCl3F); Daiflon 11; Daiflon S 1; Electro-CF 11; F 11; F 11B; FC 11; FC 11, Halocarbon; FKW 11; Fluorocarbon 11; Fluorochloroform; Fluorotrichloromethane; Freon 11; Freon MF; Freon R 11; Frigen 11; Frigen 11A; Frigen S 11; Genetron 11; Halon 11; Isceon 131; Isotron 11; Kaltron 11; Khladon 11; Ledon 11; Methane, trichlorofluoro-; Monofluorotrichloromethane; Propellant 11; R 11; R 11, Halocarbon; Refrigerant 11; Refrigerant R11; Trichloromonofluoromethane; Trichlorofluoromethane; Triclorofluormethane;
INChI
InChI=1/CCl3F/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   218  
Energy 298.15K   178  
Atomization Enthalpy 298.15K x172x
Atomization Enthalpy 0K x181x
Entropy (298.15K) entropy x175x
Entropy at any temperature   175  
Integrated Heat Capacity integrated heat capacity x175x
Heat Capacity (Cp) Heat capacity x175x
Nuclear Repulsion Energy   201  
HOMO-LUMO Energies HOMO energies   192  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x182  
Internal Coordinates bond lengths bond angles x182x
Products of moments of inertia moments of inertia  192 
Rotational Constants rotational constants x197x
Point Group  198 
Vibrations Vibrational Frequencies vibrations x195x
Vibrational Intensities x193x
Zero-point energies x195x
Vibrational scaling factors x
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   156  
Dipole dipole x163x
Quadrupole quadrupole  157 
Polarizability polarizability x138x
Other results Spin   0  
Number of basis functions   7  
Diagnostics   4  
Conformations   1