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All data (experiment and calculated) in the CCCBDB for C5H10 (2-Pentene, (E)-)

1907021335
Other names
2-(E)-C5H10; (E)-2-Pentene; 2-Pentene, (E)-; 2-trans-Pentene; trans-β-Amylene; trans-2-Pentene; (E)-pent-2-ene;
INChI
InChI=1S/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3+

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   223  
Energy 298.15K   217  
Atomization Enthalpy 298.15K x161x
Atomization Enthalpy 0K x164x
Entropy (298.15K) entropy x156x
Entropy at any temperature   156  
Integrated Heat Capacity integrated heat capacity x156x
Heat Capacity (Cp) Heat capacity x156x
Nuclear Repulsion Energy   210  
HOMO-LUMO Energies HOMO energies   210  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  187  
Internal Coordinates bond lengths bond angles x186x
Products of moments of inertia moments of inertia  204 
Rotational Constants rotational constants  209 
Point Group  209 
Vibrations Vibrational Frequencies vibrations  207 
Vibrational Intensities  217 
Zero-point energies  207 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   0  
Electronic States Electronic states x 0  
Electrostatics Atom charges   177  
Dipole dipole  182 
Quadrupole quadrupole  176 
Polarizability polarizability x163x
Other results Spin   0  
Number of basis functions   6  
Conformations   1