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

All data (experiment and calculated) in the CCCBDB for C4H2O3 (Maleic Anhydride)

Other names
2,5-Furandione; cis-Butenedioic Anhydride; Dihydro-2,5-dioxofuran; Maleic acid anhydride; Toxilic anhydride; UN 2215; furan-2,5-dione;
INChI
InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H

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      
Enthalpy 0K enthalpy of formation      
Energy 0K   177  
Energy 298.15K   8  
Atomization Enthalpy 298.15K  0 
Atomization Enthalpy 0K  0 
Entropy (298.15K) entropy  0 
Entropy at any temperature   0  
Integrated Heat Capacity integrated heat capacity  0 
Heat Capacity (Cp) Heat capacity x0x
Nuclear Repulsion Energy   177  
HOMO-LUMO Energies HOMO energies   171  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x171  
Internal Coordinates bond lengths bond angles x171x
Products of moments of inertia moments of inertia x132x
Rotational Constants rotational constants x138x
Point Group  177 
Vibrations Vibrational Frequencies vibrations  168 
Vibrational Intensities  168 
Zero-point energies  168 
Vibrational scaling factors  
Anharmonic frequencies and constants      
Electronic States Electronic states   0  
Electrostatics Atom charges   122  
Dipole dipole  122 
Quadrupole quadrupole  119 
Polarizability polarizability  122 
Other results Spin   0  
Number of basis functions   25  
Diagnostics   0  
Conformations   1