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

All data (experiment and calculated) in the CCCBDB for C5H8 (1,3-Pentadiene, (Z)-)

Other names
1,3-Pentadiene, (Z)-; 1,cis-3-Pentadiene; (Z)-1,3-Pentadiene; (Z)-CH2=CHCH=CHCH3; cis-1,3-Pentadiene; cis-1-Methylbutadiene; cis-Piperylene; pentadiene; 1,3-pentadiene;
INChI
InChI=1/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-

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   428  
Energy 298.15K   154  
Atomization Enthalpy 298.15K x143x
Atomization Enthalpy 0K x145x
Entropy (298.15K) entropy x143x
Entropy at any temperature   143  
Integrated Heat Capacity integrated heat capacity x143x
Heat Capacity (Cp) Heat capacity x143x
Nuclear Repulsion Energy   419  
HOMO-LUMO Energies HOMO energies   410  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  392  
Internal Coordinates bond lengths bond angles  392 
Products of moments of inertia moments of inertia x286x
Rotational Constants rotational constants x292x
Point Group  419 
Vibrations Vibrational Frequencies vibrations x404x
Vibrational Intensities  403 
Zero-point energies  404 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   322  
Dipole dipole x319x
Quadrupole quadrupole  296 
Polarizability polarizability  265 
Other results Spin   0  
Number of basis functions   25  
Diagnostics   4  
Conformations   1