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Substance Name: 3-Methylbutanoic acid, phenyl ester
RN: 15806-38-9
InChIKey: GBXSANZZKSPQKM-UHFFFAOYSA-N

Molecular Weight

  • 178.2296
 
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Names and Synonyms

  • 3-Methylbutanoic acid, phenyl ester

Registry Numbers

CAS Registry Number

  • 15806-38-9

System Generated Number

  • 0015806389

Structure Descriptors

InChI

1S/C11H14O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChIKey

GBXSANZZKSPQKM-UHFFFAOYSA-N

Smiles

CC(C)CC(=O)Oc1ccccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.18 (none)   EXP
Water Solubility 108 mg/L 25 EST
Vapor Pressure 0.043 mm Hg 25 EST
Henry's Law Constant 1.52E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.09E-12 cm3/molecule-sec 25 EST

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