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

All data (experiment and calculated) in the CCCBDB for CH3CFCl2 (1,1-Dichloro-1-fluoroethane)

Other names
Ethane, 1,1-dichloro-1-fluoro-; Freon 141; Dichlorofluoroethane; Freon 141b; HCFC-141b; R 141b; 1,1-dichloro-1-fluoroethane;
INChI
InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   13  
Energy 298.15K   1  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity  0 
Nuclear Repulsion Energy   13  
HOMO-LUMO Energies HOMO energies   13  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  13  
Internal Coordinates bond lengths bond angles  0 
Products of moments of inertia moments of inertia  12 
Rotational Constants rotational constants  13 
Point Group  14 
Vibrations Vibrational Frequencies vibrations  12 
Vibrational Intensities  12 
Zero-point energies  12 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   7  
Dipole dipole  8 
Quadrupole quadrupole  5 
Polarizability polarizability  8 
Other results Spin   0  
Number of basis functions   2  
Diagnostics   0  
Conformations   1