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

All data (experiment and calculated) in the CCCBDB for C5H10 (1-Butene, 2-methyl-)

Other names
γ-Isoamylene; 1-Butene, 2-methyl-; 1-Isoamylene; 2-Methyl-1-butene; 2-Methylbutene-1; Isopentene; UN 2459; UN 2371; gamma-Isoamylene; 2-methylbut-1-ene;
INChI
InChI=1/C5H10/c1-4-5(2)3/h2,4H2,1,3H3

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   203  
Energy 298.15K   173  
Atomization Enthalpy 298.15K x168x
Atomization Enthalpy 0K x174x
Entropy (298.15K) entropy x163x
Entropy at any temperature   163  
Integrated Heat Capacity integrated heat capacity x163x
Heat Capacity (Cp) Heat capacity x163x
Nuclear Repulsion Energy   195  
HOMO-LUMO Energies HOMO energies   69  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  167  
Internal Coordinates bond lengths bond angles x167x
Products of moments of inertia moments of inertia  178 
Rotational Constants rotational constants  183 
Point Group  189 
Vibrations Vibrational Frequencies vibrations x186x
Vibrational Intensities  185 
Zero-point energies x186x
Vibrational scaling factors x
Anharmonic frequencies and constants      
Electronic States Electronic states x 0  
Electrostatics Atom charges   160  
Dipole dipole  162 
Quadrupole quadrupole  157 
Polarizability polarizability  140 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   1