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Dimethyl Ether

C2H6O, 46.069 g/mol. Its structure, the values that were measured, the values that were calculated, and where each one came from.

Organic — ether9 measured properties

Drawn from the SMILES. It shows how the atoms are connected — not a photograph of a molecule, and not its shape in space.

Identifiers

Molecular formula
C₂H₆O
Molecular weight
46.069 g/mol
Exact mass
46.041865 g/mol
SMILES
COC
InChI
InChI=1S/C2H6O/c1-3-2/h1-2H3
InChIKey
LCGLNKUTAGEVQW-UHFFFAOYSA-N

Both are open without an account.

Measured properties

Values somebody obtained from a sample and published. Where two sources report the same property they are both shown, in the units each used — a disagreement between them is information, and averaging it away would be inventing a number neither one gave.

Boiling Point
-8 °F at 760 mmHg (NTP, 1992)measured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
-24.82 °Cmeasured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1084
-23.6 °Cmeasured · reference compound database
-24.8 °C @760 [mm Hg]measured · reference compound database
Melting Point
-217.3 °F (NTP, 1992)measured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
-141.5 °Cmeasured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1084
-141.5 °Cmeasured · reference compound database
-141.5 °Cmeasured · reference compound database
Flash Point
25 °F (NTP, 1992)measured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
-42 °F (closed cup)measured · Lewis, R.J. Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold, 1996., p. 2237
Flammable gasmeasured · reference compound database
Solubility
1 vol water takes up 37 vol gasmeasured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1084
Sol in ether, acetone, chloroform; ethyl alcoholmeasured · Lide, D.R. CRC Handbook of Chemistry and Physics 86TH Edition 2005-2006. CRC Press, Taylor & Francis, Boca Raton, FL 2005, p. 3-198
SOL IN ORG SOLVENTS EXCEPT FOR POLYALCOHOLSmeasured · Clayton, G.D., F.E. Clayton (eds.) Patty's Industrial Hygiene and Toxicology. Volumes 2A, 2B, 2C, 2D, 2E, 2F: Toxicology. 4th ed. New York, NY: John Wiley & Sons Inc., 1993-1994., p. 458
Soluble in oxygenated solventsmeasured · Ashford, R.D. Ashford's Dictionary of Industrial Chemicals. London, England: Wavelength Publications Ltd., 1994., p. 328
In water, 4.6X10+4 mg/L at 25 °Cmeasured · Hine J, Mookerjee PK; J Org Chem 40: 292-8 (1975)
Solubility in water, g/100ml: 2.4measured · reference compound database
Density
0.724 at -12.46 °F (USCG, 1999) - Less dense than water; will floatmeasured · U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
1.91855 g/L at 1 atm and 25 °Cmeasured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1084
Relative density (water = 1): 0.61measured · reference compound database
1.92 g/Lmeasured · reference compound database
Vapor Pressure
2.128 mmHg (NTP, 1992)measured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
4450.0 [mmHg]measured · reference compound database
4450 mm Hg at 25 °Cmeasured · Riddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 1325
4450 [mm Hg] @25 °Cmeasured · reference compound database
LogP
log Kow = 0.10measured · Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 5
0.1measured · reference compound database
Viscosity
825 at 0 °Cmeasured · Flick, E.W. Industrial Solvents Handbook. 3rd ed. Park Ridge, NJ: Noyes Publications, 1985., p. 381
Refractive Index
Index of refraction: 1.3441 at -42.5 °C/Dmeasured · Clayton, G.D., F.E. Clayton (eds.) Patty's Industrial Hygiene and Toxicology. Volumes 2A, 2B, 2C, 2D, 2E, 2F: Toxicology. 4th ed. New York, NY: John Wiley & Sons Inc., 1993-1994., p. 458

Calculated properties

Derived from the structure rather than from a sample. These are reproducible and they are not measurements: a calculated partition coefficient and a measured one can differ by a long way, and where both exist they are listed apart on purpose.

logP
0.2626calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
9.23 Ųcalculated · chemistry engine
Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors
0calculated · chemistry engine
Atoms that can donate a hydrogen bond.
H-bond acceptors
1calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
0calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
12.933 cm³/molcalculated · chemistry engine
Relates to the molecule's polarisability.
Fraction sp³ carbons
1calculated · chemistry engine
Share of carbon atoms with tetrahedral bonding.
QED drug-likeness
0.38calculated · chemistry engine
Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded
3
Total atoms, hydrogen included
9
Rings
0
Aromatic rings
0
Stereocentres
0
Formal charge
0

Functional groups

  • Ether

    An oxygen bridging two carbons.

Matched by structural pattern, not by a measurement.

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

Reactions it appears in

No documented reaction with a written procedure and a source involves Dimethyl Ether yet.

Other names for it

No systematic name is recorded.

The sources also call it Methoxymethane, Methyl ether, Dimethyl oxide, Oxybismethane, Methyl oxide, Methane, oxybis-, Wood ether, Dymel A, Ether, dimethyl, Ether, methyl, Demeon D, Methane, 1,1'-oxybis-.

Structurally related

Nothing structurally close to Dimethyl Ether has a page here yet.

Seen alongside it in reaction records

Molecules that appear in the same recorded reactions as Dimethyl Ether. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.

Where these values came from

  • chemistry engine

    structure perception

No matching record was found in the currently indexed sources (reference compound database)..

What this page does not claim

The identifiers are what the source record holds, copied rather than recomputed. Measured values are reported as their source gave them, units and all; calculated values are marked as calculated and are not measurements. Where a field is absent the page says so, because a blank cell reads as a zero and a guessed value reads as a fact.

Nothing here is a hazard assessment, a purity statement or advice about handling a sample. A flash point quoted from a safety database is a number somebody published, not a judgement by us about whether this molecule is safe for what you intend.