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

All data (experiment and calculated) in the CCCBDB for C4H10O2 (Ethane, 1,2-dimethoxy-)

Other names
α,β-Dimethoxyethane; 1,2-Dimethoxyethane; 1,2-Ethanediol dimethyl ether; 2,5-Dioxahexane; Dimethoxyethane; Dimethyl cellosolve; Dimethyl cellosolve monoglyme; Egdme; Ethane, 1,2-dimethoxy-; Ethylene dimethyl ether; Ethylene glycol dimethyl ether; Glycol dimethyl ether; Glyme; Monoethylene glycol dimethyl ether; Monoglyme; UN 2252; alpha,beta-Dimethoxyethane;
INChI
InChI=1/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3

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   189  
Energy 298.15K   164  
Atomization Enthalpy 298.15K x158x
Atomization Enthalpy 0K  160 
Entropy (298.15K) entropy  154 
Entropy at any temperature   154  
Integrated Heat Capacity integrated heat capacity  154 
Heat Capacity (Cp) Heat capacity  154 
Nuclear Repulsion Energy   185  
HOMO-LUMO Energies HOMO energies   180  
Barriers to Internal Rotation internal rotation  0 
Geometries Cartesians x160  
Internal Coordinates bond lengths bond angles x0x
Products of moments of inertia moments of inertia  177 
Rotational Constants rotational constants  182 
Point Group  182 
Vibrations Vibrational Frequencies vibrations  179 
Vibrational Intensities  178 
Zero-point energies  179 
Vibrational scaling factors  
Anharmonic frequencies and constants   2  
Electronic States Electronic states x 0  
Electrostatics Atom charges   155  
Dipole dipole  157 
Quadrupole quadrupole  152 
Polarizability polarizability  138 
Other results Spin   0  
Number of basis functions   6  
Diagnostics   3  
Conformations   1