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Substance Name: n-Hexylbenzene
RN: 1077-16-3
UNII: 8E3D1A2BZP
InChIKey: LTEQMZWBSYACLV-UHFFFAOYSA-N

Molecular Formula

  • C12-H18

Molecular Weight

  • 162.2742
 
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Names and Synonyms

Name of Substance

  • n-Hexylbenzene

Synonyms

  • 1-Phenylhexane
  • EINECS 214-070-7
  • Hexylbenzene
  • n-Hexylbenzene
  • NSC 86141
  • UNII-8E3D1A2BZP

Systematic Names

  • Benzene, hexyl-
  • Hexane, 1-phenyl- (8CI)
  • Hexylbenzene

Superlist Name

  • n-Hexylbenzene

Registry Numbers

CAS Registry Number

  • 1077-16-3

FDA UNII

  • 8E3D1A2BZP

Other Registry Number

  • 74296-34-7

System Generated Number

  • 0001077163

Structure Descriptors

InChI

1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3

InChIKey

LTEQMZWBSYACLV-UHFFFAOYSA-N

Smiles

c1(CCCCCC)ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.10E+01 deg C   EXP
Boiling Point 226.1 deg C   EXP
log P (octanol-water) 5.52 (none)   EXP
Water Solubility 0.902 mg/L 25 EXP
Vapor Pressure 0.121 mm Hg 25 EXP
Henry's Law Constant 0.029 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.15E-11 cm3/molecule-sec 25 EST

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