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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   219  
Energy 298.15K   190  
Atomization Enthalpy 298.15K x180x
Atomization Enthalpy 0K x182x
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   207  
HOMO-LUMO Energies HOMO energies   205  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  186  
Internal Coordinates bond lengths bond angles  186 
Products of moments of inertia moments of inertia  197 
Rotational Constants rotational constants  202 
Point Group  209 
Vibrations Vibrational Frequencies vibrations x200x
Vibrational Intensities  200 
Zero-point energies  200 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   162  
Dipole dipole  164 
Quadrupole quadrupole  158 
Polarizability polarizability  141 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   1