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Substance Name: Cyclopentanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester
RN: 160790-10-3
InChIKey: AWDYZLGQTRYRJA-UHFFFAOYSA-N

Molecular Formula

  • C15-H19-Cl-O4-S

Molecular Weight

  • 330.83
 
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Names and Synonyms

  • Cyclopentanecarboxylic acid, 1-((4-chlorophenyl)sulfonyl)-, 1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 160790-10-3

System Generated Number

  • 0160790103

Structure Descriptors

InChI

1S/C15H19ClO4S/c1-11(2)20-14(17)15(9-3-4-10-15)21(18,19)13-7-5-12(16)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3

InChIKey

AWDYZLGQTRYRJA-UHFFFAOYSA-N

Smiles

S(C1(C(OC(C)C)=O)CCCC1)(c1ccc(cc1)Cl)(=O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 92.5 deg C   EXP
log P (octanol-water) 3.16 (none)   EXP
Water Solubility 7.41 mg/L 25 EXP
Vapor Pressure 2.46E-07 mm Hg 25 EST
Henry's Law Constant 5.31E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.35E-12 cm3/molecule-sec 25 EST

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