n-decane

n-decane
Compound Structure:
Synonyms: Decane; n-Decane; Nonane, methyl-; Decyl hydride; Normal-decane
Compound ID: NMPC-1294
PubChem ID:

15600

Molecular Formula: C10H22
Canonical SMILES: CCCCCCCCCC
InChIKey: DIOQZVSQGTUSAI-UHFFFAOYSA-N
About the compound:

N-decane, a component of hydrocarbon mixtures, has distinct chemical properties and uses:

Physical Properties:

N-decane appears as a colorless liquid with a flash point of 115 °F.

It is less dense than water and insoluble in water.

Its vapors are heavier than air and can be narcotic in high concentrations.

Chemical Structure:

Decane is an alkane hydrocarbon with the chemical formula C10H22.

The term 'decane' typically refers to normal-decane ("n-decane"), which has the formula CH3(CH2)8CH3. However, there are 75 possible structural isomers for decane, each with slightly different properties.

Uses and Applications:

N-decane is used as a solvent in various industrial applications and is involved in the synthesis of other chemicals.

Its characteristics as a nonpolar solvent make it useful in scenarios where water-soluble solvents are ineffective.

Occurrence and Significance:

Decane is present in small quantities in gasoline (petrol) and kerosene, usually making up less than 1% of the composition.

While it is a component of fuels, its significance as a chemical feedstock is relatively minor compared to some other alkanes.

The properties of n-decane, such as being a nonpolar solvent and its combustibility, make it a useful but potentially hazardous substance in various industrial contexts. Its low solubility in water and presence in fuel mixtures underscore its role in the petroleum industry.

GHS Hazard Statements

H226 (91.89%): Flammable liquid and vapor [Warning Flammable liquids]

H304 (92.73%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

First Aid

1. Eyes:

Check and remove contact lenses if present.

Flush the eyes with water or saline for 20-30 minutes while contacting a hospital or poison control center.

Do not apply ointments, oils, or medications without a physician's instructions.

Transport the victim to a hospital immediately after flushing, regardless of the presence of symptoms.

2. Skin:

Immediately rinse the affected skin with water, removing all contaminated clothing.

Wash the affected areas thoroughly with soap and water.

Call a physician and prepare to transport the victim to a hospital if symptoms like redness or irritation occur.

3. Inhalation:

Exit the contaminated area immediately and breathe fresh air.

If symptoms such as wheezing, coughing, or throat irritation occur, call a physician and be ready to transport the victim to a hospital.

Rescuers should use appropriate respiratory protection, ideally a Self-Contained Breathing Apparatus (SCBA), or at least protection equal to or greater than recommended under Protective Clothing.

4. Ingestion: 

Do not induce vomiting.

If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and contact medical help immediately.

If the victim is convulsing or unconscious, keep the airway open, position them with their head lower than their body, and do not give anything by mouth.

Transport the victim to a hospital immediately (NTP, 1992)

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.


Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

142.28 g/mol

XLogP3

5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

7

Exact Mass

142.172150702 g/mol

Monoisotopic Mass

142.172150702 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

10

Formal Charge

0

Complexity

40

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

N-decane appears as a colorless liquid. Flash point 115 °F. Less dense than water and insoluble in water. Vapors heavier than air. In high concentrations its vapors may be narcotic. Used as a solvent and to make other chemicals.

Boiling Point

174.1 °C

Melting Point

-29.7 °C

Density

0.7255 g/cu cm at 25 °C

Vapor Pressure

1.43 [mmHg]

Source: PubChem            

Source Species: Mucuna sloanei
Plumbago zeylanica
Solanum nigrum
Urena lobata
Irvingia gabonensis.
Tecoma stans
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