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Substance Name: Benzenesulfonic acid, 4-(1-pentylheptyl)-, sodium salt
RN: 2212-52-4
InChIKey: BTOWBMRQUJCRTH-UHFFFAOYSA-M

Molecular Formula

  • C18-H30-O3-S.Na

Molecular Weight

  • 348.48
 
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Names and Synonyms

Synonym

  • Sodium p-6-dodecylbenzenesulfonate

Systematic Name

  • Benzenesulfonic acid, 4-(1-pentylheptyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 2212-52-4

System Generated Number

  • 0002212524

Molecular Formulas

Molecular Formula

  • C18-H30-O3-S.Na

Molecular Formula Fragments

  • C18-H30-O3-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H30O3S.Na/c1-3-5-7-9-11-16(10-8-6-4-2)17-12-14-18(15-13-17)22(19,20)21;/h12-16H,3-11H2,1-2H3,(H,19,20,21);/q;+1/p-1

InChIKey

BTOWBMRQUJCRTH-UHFFFAOYSA-M

Smiles

c1([C@@H](CCCCCC)CCCCC)ccc(S(=O)(=O)[O-])cc1.[Na+]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.920 (none)   EST
Water Solubility 20.2 mg/L 25 EST
Vapor Pressure 3.85E-15 mm Hg 25 EST
Atmospheric OH Rate Constant 1.64E-11 cm3/molecule-sec 25 EST

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