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Substance Name: Acetic acid, 3-chlorophenyl ester
RN: 13031-39-5
InChIKey: GQTKYLQYHPTULY-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-Cl-O2

Molecular Weight

  • 170.594
 
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Names and Synonyms

Synonym

  • 3-Chlorophenyl acetate

Systematic Name

  • Acetic acid, 3-chlorophenyl ester

Registry Numbers

CAS Registry Number

  • 13031-39-5

System Generated Number

  • 0013031395

Structure Descriptors

InChI

1S/C8H7ClO2/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3

InChIKey

GQTKYLQYHPTULY-UHFFFAOYSA-N

Smiles

CC(=O)Oc1cc(Cl)ccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.32 (none)   EXP
Water Solubility 638 mg/L 25 EST
Vapor Pressure 0.091 mm Hg 25 EST
Henry's Law Constant 4.80E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.46E-12 cm3/molecule-sec 25 EST

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