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

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

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=1/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   200  
Energy 298.15K   173  
Atomization Enthalpy 298.15K x169x
Atomization Enthalpy 0K x173x
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   192  
HOMO-LUMO Energies HOMO energies   187  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  166  
Internal Coordinates bond lengths bond angles x166x
Products of moments of inertia moments of inertia  181 
Rotational Constants rotational constants  186 
Point Group  186 
Vibrations Vibrational Frequencies vibrations  186 
Vibrational Intensities  185 
Zero-point energies  186 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   157  
Dipole dipole  160 
Quadrupole quadrupole  155 
Polarizability polarizability  138 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   4  
Conformations   1