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Substance Name: Hexadecylbenzene
RN: 1459-09-2
UNII: 39HL93NE0R
InChIKey: DEQLTFPCJRGSHW-UHFFFAOYSA-N

Molecular Formula

  • C22-H38

Molecular Weight

  • 302.542
 
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Names and Synonyms

Name of Substance

  • Hexadecylbenzene

Synonyms

  • 1-Phenylhexadecane
  • EINECS 215-949-8
  • Hexadecylbenzene
  • UNII-39HL93NE0R

Systematic Names

  • Benzene, hexadecyl-
  • Hexadecylbenzene

Registry Numbers

CAS Registry Number

  • 1459-09-2

FDA UNII

  • 39HL93NE0R

System Generated Number

  • 0001459092

Structure Descriptors

InChI

1S/C22H38/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3

InChIKey

DEQLTFPCJRGSHW-UHFFFAOYSA-N

Smiles

c1(ccccc1)CCCCCCCCCCCCCCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 27 deg C   EXP
Boiling Point 385 deg C   EXP
log P (octanol-water) 9.910 (none)   EST
Water Solubility 4.11E-05 mg/L 25 EST
Henry's Law Constant 0.417 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.57E-11 cm3/molecule-sec 25 EST

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