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Substance Name: Benzeneacetic acid, 4-(1,1-dimethylethyl)-
RN: 32857-63-9
InChIKey: RUAYXHSDAMWEDR-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-O2

Molecular Weight

  • 192.256
 
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Names and Synonyms

Synonym

  • EINECS 251-264-0

Systematic Names

  • 4-tert-Butylphenylacetic acid
  • Benzeneacetic acid, 4-(1,1-dimethylethyl)-

Registry Numbers

CAS Registry Number

  • 32857-63-9

System Generated Number

  • 0032857639

Structure Descriptors

InChI

1S/C12H16O2/c1-12(2,3)10-6-4-9(5-7-10)8-11(13)14/h4-7H,8H2,1-3H3,(H,13,14)

InChIKey

RUAYXHSDAMWEDR-UHFFFAOYSA-N

Smiles

O=C(O)Cc1ccc(cc1)C(C)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 4.42 (none) 25 EXP
log P (octanol-water) 2.98 (none)   EXP
Water Solubility 339 mg/L 25 EST
Vapor Pressure 2.39E-04 mm Hg 25 EST
Henry's Law Constant 1.14E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.15E-12 cm3/molecule-sec 25 EST

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