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Substance Name: Benzoic acid, 4-butyl-
RN: 20651-71-2
InChIKey: JFKUBRAOUZEZSL-UHFFFAOYSA-N

Molecular Formula

  • C11-H14-O2

Molecular Weight

  • 178.23
 
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Names and Synonyms

Synonyms

  • Benzoic acid, 4-butyl-
  • EINECS 243-940-9
  • p-Butylbenzoic acid

Systematic Names

  • 4-Butylbenzoic acid
  • Benzoic acid, 4-butyl-

Registry Numbers

CAS Registry Number

  • 20651-71-2

System Generated Number

  • 0020651712

Structure Descriptors

InChI

1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13)

InChIKey

JFKUBRAOUZEZSL-UHFFFAOYSA-N

Smiles

O=C(O)c1ccc(CCCC)cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 100-113 deg C   EXP
log P (octanol-water) 3.97 (none)   EXP
Water Solubility 22.9 mg/L 25 EST
Vapor Pressure 2.25E-04 mm Hg 25 EST
Henry's Law Constant 2.80E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.19E-12 cm3/molecule-sec 25 EST

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