Oct-1-ene

Oct-1-ene
Compound Structure:
Synonyms: oct-1-ene; Caprylene; n-1-Octene; 1-Octylene; Octylene; alpha-Octene; OCTENE-1; 1-Caprylene; Octene; alpha-Octylene; .alpha.-Octene; .alpha.-Octylene; Neodene 8; 1-Octene; 1-n-octene; Octene, 1-; Alkenes, C8-9 .alpha.-; C8-9 alpha-Alkenes.
Compound ID: NMPC-1338
PubChem ID:

8125
Molecular Formula: C8H16
Canonical SMILES: CCCCCCC=C
InChIKey: KWKAKUADMBZCLK-UHFFFAOYSA-N
About the compound:

1-octene appears as a colorless liquid. Flash point 70 °F. Insoluble in water and less dense (at about 6 lb / gal) than water. Hence floats on water. Vapors are heavier than air and may settle in depressions. Reported to biodegrade very slowly. Used in organic synthesis, surfactants, and plasticizers.

GHS Hazard Statements

• H225 (96.96%): Highly Flammable liquid and vapor [Danger Flammable liquids]

• H304 (96.85%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

• H315 (18.11%): Causes skin irritation [Warning Skin corrosion/irritation]

• H411 (18.11%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

112.21 g/mol

XLogP3

4.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

5

Exact Mass

112.125200510 g/mol

Monoisotopic Mass

112.125200510 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

8

Formal Charge

0

Complexity

46

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

1-octene appears as a colorless liquid. Flash point 70 °F. Insoluble in water and less dense (at about 6 lb / gal) than water. Hence floats on water. Vapors are heavier than air and may settle in depressions. Reported to biodegrade very slowly. Used in organic synthesis, surfactants, and plasticizers.

Boiling Point

123 °C

Melting Point

-101.7 °C

Density

0.718-0.722

Solubility 

Miscible in ethanol; soluble in ethyl ether and acetone

Vapor Pressure

17.4 [mmHg]

Source: PubChem            
Source Species: Pterocarpus santalinioides
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