Dimethyl ether
- Formula: C2H6O
- Molecular weight: 46.0684
- IUPAC Standard InChI: InChI=1S/C2H6O/c1-3-2/h1-2H3
- IUPAC Standard InChIKey: LCGLNKUTAGEVQW-UHFFFAOYSA-N
- CAS Registry Number: 115-10-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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- Other names: Methane, oxybis-; Methyl ether; Methoxymethane; Wood ether; Oxybismethane; (CH3)2O; Ether, dimethyl; Ether, methyl; UN 1033; Dimethyl oxide; Dymel A; Dymel; Demeon D; DME; Methane, 1,1'-oxybis-
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -184.1 ± 0.50 | kJ/mol | Ccb | Pilcher, Pell, et al., 1964 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°gas | -1460.4 ± 0.46 | kJ/mol | Ccb | Pilcher, Pell, et al., 1964 | Corresponding ΔfHºgas = -184.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 42.27 | 100. | Chao J., 1986 | p=1 bar. Selected values are in close agreement with other statistically calculated values [ Handi M.A., 1954, Seha Z., 1955, Banerjee S.C., 1964, Stull D.R., 1969] and ab initio result [ East A.L.L., 1997] at low temperatures. Discrepancies in S(1000 K) and Cp(1000 K) amount to about 5 and 3 J/mol*K, respectively, for [ Handi M.A., 1954, Banerjee S.C., 1964, Stull D.R., 1969].; GT |
| 48.99 | 150. | ||
| 54.47 | 200. | ||
| 62.56 | 273.15 | ||
| 65.57 ± 0.08 | 298.15 | ||
| 65.80 | 300. | ||
| 78.68 | 400. | ||
| 91.36 | 500. | ||
| 102.86 | 600. | ||
| 113.03 | 700. | ||
| 121.99 | 800. | ||
| 129.84 | 900. | ||
| 136.70 | 1000. | ||
| 142.69 | 1100. | ||
| 147.89 | 1200. | ||
| 152.41 | 1300. | ||
| 156.35 | 1400. | ||
| 159.77 | 1500. | ||
| 166.57 | 1750. | ||
| 171.50 | 2000. | ||
| 175.15 | 2250. | ||
| 177.91 | 2500. | ||
| 180.03 | 2750. | ||
| 181.70 | 3000. |
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 62.01 | 272.20 | Kistiakowsky G.B., 1940 | GT |
| 65.90 | 300.76 | ||
| 70.33 | 333.25 | ||
| 75.14 | 370.42 |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°liquid | 146.57 | J/mol*K | N/A | Kennedy, Sagenkahn, et al., 1941 |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 102.30 | 240. | Kennedy, Sagenkahn, et al., 1941 | T = 14 to 240 K. |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- GAS; DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)
2, 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Vibrational and/or electronic energy levels
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: C2ν Symmetry Number σ = 2
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | CH3 d-str | 2996 | B | 2996 S | gas | 2989 S | liq. | ||
| a1 | 2 | CH3 s-str | 2817 | B | 2817 S | gas | 2815 VS p | liq. | ||
| a1 | 3 | CH3 d-deform | 1464 | D | 1464 M | gas | ||||
| a1 | 4 | CH3 s-deform | 1452 | D | 1452 M | gas | 1452 S dp | liq. | ||
| a1 | 5 | CH3 rock | 1244 | B | 1244 W | gas | ||||
| a1 | 6 | CO s-str | 928 | B | 928 S | gas | 922 S p | liq. | ||
| a1 | 7 | COC deform | 418 | C | 418 M | gas | 428 M p | liq. | ||
| a2 | 8 | CH3 d-str | 2952 | C | ia | 2952 S | liq. | |||
| a2 | 9 | CH3 d-deform | 1464 | D | ia | SF(ν3) | ||||
| a2 | 10 | CH3 rock | 1150 | C | ia | 1150 M d | liq. | |||
| a2 | 11 | Torsion | 203 | E | ia | CF | ||||
| b1 | 12 | CH3 d-str | 2996 | B | 2996 S | gas | 2989 S | liq. | OV(ν1) | |
| b1 | 13 | CH3 s-str | 2817 | B | 2817 S | gas | 2815 VS p | liq. | OV(ν2) | |
| b1 | 14 | CH3 d-deform | 1464 | D | 1464 M | gas | OV(ν3) | |||
| b1 | 15 | CH3 s-deform | 1452 | D | 1452 M | gas | 1452 S dp | liq. | OV(ν4) | |
| b1 | 16 | CH3 rock | 1227 | C | 1227 W | liq. | ||||
| b1 | 17 | CO a-str | 1102 | B | 1102 VS | gas | 1104 M dp | liq. | ||
| b2 | 18 | CH3 d-str | 2925 | B | 2925 S | gas | ||||
| b2 | 19 | CH3 d-deform | 1464 | D | 1464 M | gas | OV(ν3) | |||
| b2 | 20 | CH3 rock | 1179 | B | 1179 VS | gas | 1170 sh | liq. | ||
| b2 | 21 | Torsion | 242 | C | 242 W | gas | ||||
Source: Shimanouchi, 1972
Notes
| d | Photodissociation threshold |
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| ia | Inactive |
| sh | Shoulder |
| p | Polarized |
| dp | Depolarized |
| CF | Calculated frequency |
| SF | Calculation shows that the frequency approximately equals that of the vibration indicated in the parentheses. |
| OV | Overlapped by band indicated in parentheses. |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
| E | 15~30 cm-1 uncertainty |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pilcher, Pell, et al., 1964
Pilcher, G.; Pell, A.S.; Coleman, D.J.,
Measurements of heats of combustion by flame calorimetry. Part 2-Dimethyl ether, methyl ethyl ether, methyl n-propyl ether, methyl isopropyl ether,
Trans. Faraday Soc., 1964, 60, 499-505. [all data]
Chao J., 1986
Chao J.,
Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties,
J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]
Handi M.A., 1954
Handi M.A.,
Molecular spectroscopy. Determination and interpretation of fundamental frequencies of dimethyl ether from infrared absorption spectrum; application for thermodynamic functions calculation,
Compt. Rend. Acad. Sci., 1954, 239, 349-351. [all data]
Seha Z., 1955
Seha Z.,
Thermodynamic functions of dimethyl ether,
Chem. Listy, 1955, 49, 1569-1570. [all data]
Banerjee S.C., 1964
Banerjee S.C.,
Thermodynamic properties of organic compounds. Part 1. Normal symmetrical aliphatic ethers,
Brit. Chem. Eng., 1964, 9, 311-313. [all data]
Stull D.R., 1969
Stull D.R., Jr.,
The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]
East A.L.L., 1997
East A.L.L.,
Ab initio statistical thermodynamical models for the computation of third-law entropies,
J. Chem. Phys., 1997, 106, 6655-6674. [all data]
Kistiakowsky G.B., 1940
Kistiakowsky G.B.,
Gaseous heat capacities. III,
J. Chem. Phys., 1940, 8, 618-622. [all data]
Kennedy, Sagenkahn, et al., 1941
Kennedy, R.M.; Sagenkahn, M.; Aston, J.G.,
The heat capacity and entropy, heats of fusion and vaporization, and the vapor pressure of dimethyl ether. The density of gaseous dimethyl ether,
J. Am. Chem. Soc., 1941, 63, 2267-2272. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
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- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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