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

1907021335
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; ether;
INChI
InChI=1S/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   303  
Energy 298.15K   291  
Atomization Enthalpy 298.15K x199x
Atomization Enthalpy 0K  198 
Entropy (298.15K) entropy  179 
Entropy at any temperature   179  
Integrated Heat Capacity integrated heat capacity  179 
Heat Capacity (Cp) Heat capacity  179 
Nuclear Repulsion Energy   292  
HOMO-LUMO Energies HOMO energies   291  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  282  
Internal Coordinates bond lengths bond angles x282x
Products of moments of inertia moments of inertia  280 
Rotational Constants rotational constants  291 
Point Group  300 
Vibrations Vibrational Frequencies vibrations  285 
Vibrational Intensities  302 
Zero-point energies  285 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Raman frequencies and intensities   5  
Electronic States Electronic states x 0  
Electrostatics Atom charges   224  
Dipole dipole  231 
Quadrupole quadrupole  223 
Polarizability polarizability x232x
Other results Spin   0  
Number of basis functions   9  
Conformations   2 x