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Substance Name: n-Tridecane
RN: 629-50-5
UNII: A3LZF0L939
InChIKey: IIYFAKIEWZDVMP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H28

Molecular Weight

  • 184.364
 
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Names and Synonyms

Name of Substance

  • n-Tridecane
  • Tridecane

Synonyms

  • EC 211-093-4
  • EINECS 211-093-4
  • HSDB 5727
  • n-Tridecane
  • NSC 66205
  • Tridecane
  • UNII-A3LZF0L939

Systematic Name

  • Tridecane

Superlist Name

  • Tridecane

Registry Numbers

CAS Registry Number

  • 629-50-5

FDA UNII

  • A3LZF0L939

System Generated Number

  • 0000629505

Structure Descriptors

InChI

1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3

InChIKey

IIYFAKIEWZDVMP-UHFFFAOYSA-N

Smiles

C(CCCCCC)CCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1161mg/kg (1161mg/kg)   Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.
rat LC50 inhalation > 41ppm/8H (41ppm)   Pharmacology and Toxicology Vol. 62, Pg. 259, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.30E+00 deg C   EXP
Boiling Point 235.4 deg C   EXP
log P (octanol-water) 6.730 (none)   EST
Water Solubility 0.0047 mg/L 25 EXP
Vapor Pressure 0.0558 mm Hg 25 EXP
Henry's Law Constant 2.880 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.60E-11 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.