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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   250  
Energy 298.15K   217  
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   248  
HOMO-LUMO Energies HOMO energies   242  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  232  
Internal Coordinates bond lengths bond angles x232x
Products of moments of inertia moments of inertia  227 
Rotational Constants rotational constants  241 
Point Group  250 
Vibrations Vibrational Frequencies vibrations  238 
Vibrational Intensities  238 
Zero-point energies  238 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   178  
Dipole dipole  179 
Quadrupole quadrupole  174 
Polarizability polarizability  179 
Other results Spin   0  
Number of basis functions   8  
Diagnostics   4  
Conformations   2 x