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

All data (experiment and calculated) in the CCCBDB for C3H8O2 (Methane, dimethoxy-)

Other names
2,4-Dioxapentane; Anesthenyl; Dimethoxymethane; Dimethyl formal; Formal; Formaldehyde dimethyl; Formaldehyde dimethyl acetal; Formaldehyde methyl ketal; Methane, dimethoxy-; Methoxymethyl methyl ether; Methyl formal; Methylal; Methylene dimethyl ether; Methylene glycol dimethylether; Methylenedioxydimethane; Metylal; UN 1234; ether;
INChI
InChI=1/C3H8O2/c1-4-3-5-2/h3H2,1-2H3

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      
Energy 0K   223  
Energy 298.15K   213  
Atomization Enthalpy 298.15K x210x
Atomization Enthalpy 0K  209 
Entropy (298.15K) entropy  190 
Entropy at any temperature   190  
Integrated Heat Capacity integrated heat capacity  190 
Heat Capacity (Cp) Heat capacity  190 
Nuclear Repulsion Energy   221  
HOMO-LUMO Energies HOMO energies   214  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  206  
Internal Coordinates bond lengths bond angles x206x
Products of moments of inertia moments of inertia  204 
Rotational Constants rotational constants  214 
Point Group  223 
Vibrations Vibrational Frequencies vibrations  214 
Vibrational Intensities  214 
Zero-point energies  214 
Vibrational scaling factors  
Anharmonic frequencies and constants   3  
Electronic States Electronic states x 0  
Electrostatics Atom charges   164  
Dipole dipole  164 
Quadrupole quadrupole  164 
Polarizability polarizability  165 
Other results Spin   0  
Number of basis functions   30  
Diagnostics   4  
Conformations   2 x