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

All data (experiment and calculated) in the CCCBDB for C6H12 (2-Butene, 2,3-dimethyl-)

Other names
1,1,2,2-Tetramethylethylene; 2,3-Dimethyl-2-butene; 2,3-Dimethylbut-2-ene; 2,3-Dimethylbutene-2; 2-Butene, 2,3-dimethyl-; Tetramethylethene; Tetramethylethylene;
INChI
InChI=1/C6H12/c1-5(2)6(3)4/h1-4H3

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   184  
Energy 298.15K   170  
Atomization Enthalpy 298.15K x166x
Atomization Enthalpy 0K  171 
Entropy (298.15K) entropy  159 
Entropy at any temperature   159  
Integrated Heat Capacity integrated heat capacity  158 
Heat Capacity (Cp) Heat capacity x158x
Nuclear Repulsion Energy   171  
HOMO-LUMO Energies HOMO energies   159  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  148  
Internal Coordinates bond lengths bond angles x148x
Products of moments of inertia moments of inertia  165 
Rotational Constants rotational constants  169 
Point Group  172 
Vibrations Vibrational Frequencies vibrations x166x
Vibrational Intensities  165 
Zero-point energies  166 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   149  
Dipole dipole  151 
Quadrupole quadrupole  147 
Polarizability polarizability  131 
Other results Spin   0  
Number of basis functions   22  
Diagnostics   3  
Conformations   1