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

All data (experiment and calculated) in the CCCBDB for C5H10 (2-Butene, 2-methyl-)

Other names
α,η-amylene; β-Isoamylene; 1,1,2-Trimethylethylene; 2-Methyl-2-butene; 2-Methylbut-2-ene; 2-Butene, 2-methyl-; 3-Methyl-2-butene; Amylene; Ethylene, trimethyl-; Isopentene; Methyl butene; n-Amylene; UN 2371; UN 2460; Trimethylethylene; alpha,eta-amylene; beta-Isoamylene;
INChI
InChI=1/C5H10/c1-4-5(2)3/h4H,1-3H3

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   202  
Energy 298.15K   189  
Atomization Enthalpy 298.15K x180x
Atomization Enthalpy 0K x182x
Entropy (298.15K) entropy x176x
Entropy at any temperature   176  
Integrated Heat Capacity integrated heat capacity x175x
Heat Capacity (Cp) Heat capacity x175x
Nuclear Repulsion Energy   190  
HOMO-LUMO Energies HOMO energies   187  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  170  
Internal Coordinates bond lengths bond angles  170 
Products of moments of inertia moments of inertia  181 
Rotational Constants rotational constants  185 
Point Group  192 
Vibrations Vibrational Frequencies vibrations x185x
Vibrational Intensities  185 
Zero-point energies  185 
Vibrational scaling factors  
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   152  
Dipole dipole  153 
Quadrupole quadrupole  149 
Polarizability polarizability  131 
Other results Spin   0  
Number of basis functions   23  
Diagnostics   4  
Conformations   1