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Substance Name: Propanedioic acid, 1,3-dithiolan-2-ylidene-, dibutyl ester
RN: 50780-69-3
InChIKey: ZETBTPVLZNYFEL-UHFFFAOYSA-N

Molecular Formula

  • C14-H22-O4-S2

Molecular Weight

  • 318.456
 
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Names and Synonyms

Synonym

  • Dibutyl 1,3-dithiolan-2-ylidenepropanedioate

Systematic Name

  • Propanedioic acid, 1,3-dithiolan-2-ylidene-, dibutyl ester

Registry Numbers

CAS Registry Number

  • 50780-69-3

System Generated Number

  • 0050780693

Structure Descriptors

InChI

1S/C14H22O4S2/c1-3-5-7-17-12(15)11(14-19-9-10-20-14)13(16)18-8-6-4-2/h3-10H2,1-2H3

InChIKey

ZETBTPVLZNYFEL-UHFFFAOYSA-N

Smiles

O(CCCC)C(=O)C(=C1\SCCS1)\C(=O)OCCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.6 (none)   EXP
Water Solubility 5.360 mg/L 25 EST
Vapor Pressure 1.66E-05 mm Hg 25 EST
Henry's Law Constant 4.27E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.75E-11 cm3/molecule-sec 25 EST

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