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Substance Name: Benzoic acid, 2-(1-methylethyl)-
RN: 2438-04-2
InChIKey: BANZVKGLDQDFDV-UHFFFAOYSA-N

Molecular Weight

  • 164.203
 
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Names and Synonyms

Synonym

  • o-Isopropylbenzoic acid

Systematic Name

  • Benzoic acid, 2-(1-methylethyl)-

Registry Numbers

CAS Registry Number

  • 2438-04-2

System Generated Number

  • 0002438042

Structure Descriptors

InChI

1S/C10H12O2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3,(H,11,12)

InChIKey

BANZVKGLDQDFDV-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C(O)=O)C(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 64 deg C   EXP
pKa Dissociation Constant 3.63 (none) 25 EXP
log P (octanol-water) 2.990 (none)   EST
Water Solubility 184 mg/L 25 EST
Henry's Law Constant 2.11E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.51E-12 cm3/molecule-sec 25 EST

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