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Experimental data for CH3OCH3 (Dimethyl ether)

22 02 02 11 45
Other names
Dimethyl ether; Dimethyl oxide; Dymel A; Ether, dimethyl; Ether, methyl; Methane, oxybis-; Methoxymethane; Methyl ether; Oxybismethane; ether; Wood ether;
INChI INChIKey SMILES IUPAC name
InChI=1S/C2H6O/c1-3-2/h1-2H3 LCGLNKUTAGEVQW-UHFFFAOYSA-N COC Methoxymethane
State Conformation
1A1 C2V
Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)
Property Value Uncertainty units Reference Comment
Hfg(298.15K) enthalpy of formation -184.10   kJ mol-1 TRC
Hfg(0K) enthalpy of formation -166.60   kJ mol-1 TRC
Entropy (298.15K) entropy 267.34   J K-1 mol-1 TRC
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 14.34   kJ mol-1 TRC
Heat Capacity (298.15K) heat capacity 65.57   J K-1 mol-1 webbook
Barrier to Internal Rotation 11.4   kJ mol-1  
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference
1 A1 2996   Shim      
2 A1 2817   Shim      
3 A1 1464   Shim      
4 A1 1452   Shim      
5 A1 1244   Shim      
6 A1 928   Shim      
7 A1 418   Shim      
8 A2 2952   Shim      
9 A2 1464   Shim      
10 A2 1150   Shim      
11 A2 203   Shim      
12 B1 2925   Shim      
13 B1 1464   Shim      
14 B1 1179   Shim      
15 B1 242   Shim      
16 B2 2996   Shim      
17 B2 2817   Shim      
18 B2 1464   Shim      
19 B2 1452   Shim      
20 B2 1227   Shim      
21 B2 1102   Shim      

vibrational zero-point energy: 16978.0 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for CH3OCH3 (Dimethyl ether).
Gas-phase IR spectra can be found in the NIST Chemistry Webbook here.
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment
1.29384 0.33545 0.29644 1966Herzberg

Calculated rotational constants for CH3OCH3 (Dimethyl ether).
Product of moments of inertia moments of inertia
37234.41amu3Å6   1.70495303655375E-115gm3 cm6
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