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Substance Name: 1-Chlorohexadecane
RN: 4860-03-1
UNII: WQ5ZKS3EK3
InChIKey: CLWAXFZCVYJLLM-UHFFFAOYSA-N

Molecular Formula

  • C16-H33-Cl

Molecular Weight

  • 260.89
 
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Names and Synonyms

Name of Substance

  • 1-Chlorohexadecane

Synonyms

  • 1-Chlorohexadecane
  • Cetyl chloride
  • EINECS 225-461-7
  • Hexadecyl chloride
  • n-Hexadecyl chloride
  • NSC 57106
  • UNII-WQ5ZKS3EK3

Systematic Names

  • 1-Chlorohexadecane
  • Hexadecane, 1-chloro-

Superlist Name

  • Hexadecane, 1-chloro-

Registry Numbers

CAS Registry Number

  • 4860-03-1

FDA UNII

  • WQ5ZKS3EK3

System Generated Number

  • 0004860031

Structure Descriptors

InChI

1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3

InChIKey

CLWAXFZCVYJLLM-UHFFFAOYSA-N

Smiles

C(CCCCCCCC)CCCCCCCCl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 17.9 deg C   EXP
Boiling Point 322 deg C   EXP
log P (octanol-water) 8.450 (none)   EST
Water Solubility 1.24E-03 mg/L 25 EST
Henry's Law Constant 0.575 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.91E-11 cm3/molecule-sec 25 EST

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