Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Heptylbenzene
RN: 1078-71-3
UNII: 12UC21C7SN
InChIKey: LBNXAWYDQUGHGX-UHFFFAOYSA-N

Molecular Formula

  • C13-H20

Molecular Weight

  • 176.301
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Heptylbenzene

Synonyms

  • 1-Phenylheptane
  • EINECS 214-084-3
  • Heptane, 1(or 7)-phenyl-
  • Heptylbenzene
  • n-Heptylbenzene
  • NSC 97413
  • UNII-12UC21C7SN

Systematic Names

  • Benzene, heptyl-
  • Heptane, 1-phenyl- (8CI)
  • Heptylbenzene

Superlist Name

  • n-Heptylbenzene

Registry Numbers

CAS Registry Number

  • 1078-71-3

FDA UNII

  • 12UC21C7SN

System Generated Number

  • 0001078713

Structure Descriptors

InChI

1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3

InChIKey

LBNXAWYDQUGHGX-UHFFFAOYSA-N

Smiles

c1(CCCCCCC)ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.80E+01 deg C   EXP
Boiling Point 240 deg C   EXP
log P (octanol-water) 5.37 (none)   EXP
Water Solubility 0.447 mg/L 25 EXP
Vapor Pressure 0.031 mm Hg 25 EXP
Henry's Law Constant 0.015 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.30E-11 cm3/molecule-sec 25 EST

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