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

All data (experiment and calculated) in the CCCBDB for C2H6O3S (Sulfurous acid, dimethyl ester)

Other names
Dimethoxy sulfoxide; Dimethyl ester of sulfurous acid; Dimethyl sulfite; Dimethyl sulphite; Methyl sulfite; Sulfurous acid, dimethyl ester; Sulphurous acid dimethyl ester;
INChI
InChI=1/C2H6O3S/c1-4-6(3)5-2/h1-2H3

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   183  
Energy 298.15K   154  
Atomization Enthalpy 298.15K x149x
Atomization Enthalpy 0K  152 
Entropy (298.15K) entropy  149 
Entropy at any temperature   149  
Integrated Heat Capacity integrated heat capacity  149 
Heat Capacity (Cp) Heat capacity  149 
Nuclear Repulsion Energy   175  
HOMO-LUMO Energies HOMO energies   167  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians  156  
Internal Coordinates bond lengths bond angles  156 
Products of moments of inertia moments of inertia  165 
Rotational Constants rotational constants  169 
Point Group  173 
Vibrations Vibrational Frequencies vibrations  165 
Vibrational Intensities  165 
Zero-point energies  165 
Vibrational scaling factors  
Anharmonic frequencies and constants   1  
Electronic States Electronic states x 0  
Electrostatics Atom charges   143  
Dipole dipole x149x
Quadrupole quadrupole  144 
Polarizability polarizability  130 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   3  
Conformations   1