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

1907021335
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; Trimethylethylene; alpha,eta-amylene; beta-Isoamylene;
INChI
InChI=1S/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   241  
Energy 298.15K   236  
Atomization Enthalpy 298.15K x170x
Atomization Enthalpy 0K x171x
Entropy (298.15K) entropy x165x
Entropy at any temperature   165  
Integrated Heat Capacity integrated heat capacity x165x
Heat Capacity (Cp) Heat capacity x165x
Nuclear Repulsion Energy   224  
HOMO-LUMO Energies HOMO energies   225  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  205  
Internal Coordinates bond lengths bond angles  204 
Products of moments of inertia moments of inertia  219 
Rotational Constants rotational constants  223 
Point Group  229 
Vibrations Vibrational Frequencies vibrations fun. 219x
Vibrational Intensities  232 
Zero-point energies  219 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   0  
Electronic States Electronic states x 0  
Electrostatics Atom charges   179  
Dipole dipole  185 
Quadrupole quadrupole  178 
Polarizability polarizability  165 
Other results Spin   0  
Number of basis functions   6  
Conformations   1