Ethanol
An alcohol, C2H6O, 46.069 g/mol. Boiling point 78.2 °C, melting point -114.1 °C, as published. Appears in 4 documented reactions across 4 classes.
Identifiers
- Molecular formula
- C₂H₆O
- Molecular weight
- 46.069 g/mol
- Exact mass
- 46.041865 g/mol
- IUPAC name
- ethanol
- CCO
- InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 173.3 °F at 760 mmHg (NTP, 1992)
- 78.2 °C
- Melting Point
- -173.4 °F (NTP, 1992)
- -114.1 °C
- Density
- 0.79 at 68 °F (USCG, 1999) - Less dense than water; will float
- 0.7893 g/cu cm at 20 °C
- Solubility
- greater than or equal to 100 mg/mL at 73 °F (NTP, 1992)
- 1000000 mg/L (at 25 °C)
- Vapor Pressure
- 40 mmHg at 66 °F ; 50 mmHg at 77 °F (NTP, 1992)
- 59.3 [mmHg]
- LogP
- -0.31
- log Kow = -0.31
- Flash Point
- 55 °F (NTP, 1992)
- 55 °F
Calculated properties
- Molecular weight
- 46.07 g/mol
- Exact mass
- 46.041864811 Da
- XLogP3
- -0.1
- Polar surface area
- 20.2 Ų
- Complexity
- 2
- H-bond donors
- 1
- H-bond acceptors
- 1
- logP
- -0.0014
- Topological polar surface area
- 20.23 Ų
- H-bond donors
- 1
- H-bond acceptors
- 1
- Rotatable bonds
- 0
- Molar refractivity
- 12.7598 cm³/mol
- Fraction sp³ carbons
- 1
- QED drug-likeness
- 0.4068
What it is made of
Elements
Structure
- Heavy atoms, hydrogen excluded
- 3
- Total atoms, hydrogen included
- 9
- Rings
- 0
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Alcohol
The molecule in three dimensions
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
4 documented reactions involve Ethanol, each with a written procedure and a source across 4 classes. A few from each are shown.
Buchwald–Hartwig amination
Buchwald–Hartwig amination · as a solvent
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Hydration of ethene to ethanol
Addition · as a product
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Esterification of acetic acid with ethanol
Esterification · as a reactant
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
Oxidation of ethanol to acetaldehyde
Oxidation · as a reactant
A recorded experiment with its conditions, its yield where one was published, and a link to the source.
All 1 buchwald–hartwig amination recordsAll 1 addition recordsAll 1 esterification recordsAll 1 oxidation records
Other names for it
The systematic name on this record is ethanol.
The sources also call it ethyl alcohol, alcohol, grain alcohol, Methylcarbinol, Ethyl hydroxide, Ethyl hydrate, Tecsol, Algrain, Anhydrol, EtOH, Hydroxyethane.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Ethanol. 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
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under E
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with C2H6O in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Ethanol for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.