n-Tridecane

n-Tridecane
Compound Structure:
Synonyms: Tridecane; N-TRIDECANE; Tridekan; TRIDECANE, N-; Dodecane, methyl-; tridecan
Compound ID: NMPC-1333
PubChem ID:

12388

Molecular Formula: C13H28
Canonical SMILES: CCCCCCCCCCCCC
InChIKey: IIYFAKIEWZDVMP-UHFFFAOYSA-N
About the compound:

Tridecane, also known as n-tridecane, is a straight-chain alkane composed of 13 carbon atoms, with the chemical formula CH3(CH2)11CH3. It appears as an oily straw yellow clear liquid with a hydrocarbon odor. Its flash point ranges between 190-196 °F, and it has a specific gravity of 0.76. The boiling point of tridecane is 456 °F. In terms of safety and handling, repeated or prolonged skin contact with tridecane may cause irritation or reddening of the skin, potentially leading to dermatitis. High concentrations of its vapor can result in symptoms like headache and stupor. Tridecane is found as a component of essential oils isolated from certain plants, including Abelmoschusesculentus. It functions as a plant metabolite and a volatile oil component. In industrial contexts, tridecane doesn't have specific value apart from being a constituent in various fuels and solvents. In research laboratories, it is often utilized as a distillation chaser. As a combustible colorless liquid, tridecane requires careful handling and storage to avoid fire hazards and health risks associated with exposure.

GHS Hazard Statements

H304 (95.19%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

First Aid

In case of exposure:

EYES: Check for contact lenses and remove them if present. Flush eyes with water or saline for 20-30 minutes while seeking medical help. Do not apply any ointments or medications without physician instructions. Transport the victim to the hospital even if no symptoms appear.

SKIN: Immediately wash affected skin with water and remove contaminated clothing. Thoroughly clean skin with soap and water. If redness or irritation occurs, call a physician and prepare to transport to a hospital.

INHALATION: Leave the contaminated area and breathe fresh air. If symptoms like wheezing or coughing develop, seek medical help and provide appropriate respiratory protection. Use SCBA if available, or higher-level protection.

INGESTION: Do not induce vomiting. If conscious, give water to dilute the chemical and call for medical assistance. If unconscious, ensure open airway and transport to a hospital immediately without inducing vomiting (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

184.36 g/mol

XLogP3

6.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

10

Exact Mass

184.219100893 g/mol

Monoisotopic Mass

184.219100893 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

13

Formal Charge

0

Complexity

66.1

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

Tridecane appears as an oily straw yellow clear liquid with a hydrocarbon odor. Flash point 190-196 °F. Specific gravity 0.76. Boiling point 456 °F. Repeated or prolonged skin contact may irritate or redden skin, progressing to dermatitis. Exposure to high concentrations of vapor may result in headache and stupor

Boiling Point

235.4 °C

Melting Point

-5.35 °C

Density

0.7564 g/cu cm at 20 °C

Solubility 

Very soluble in ethyl alcohol, ethyl ether; soluble in carbon tetrachloride

Vapor Pressure

0.0375 mm Hg at 25 °C

Source: PubChem       

Source Species: Gongronema latifolium
Plumbago zeylanica
Ximenia americana
Morinda lucida
Mucuna pruriens
Plumeria alba
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