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Substance Name: Chlorooctane
RN: 26655-49-2
InChIKey: ODPGVUPAQDFIER-UHFFFAOYSA-N

Molecular Weight

  • 446.0259
 
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Names and Synonyms

  • Chlorooctane

Registry Numbers

CAS Registry Number

  • 26655-49-2

System Generated Number

  • 0026655492

Structure Descriptors

InChI

1S/3C8H17Cl/c1-3-4-5-6-7-8(2)9;1-3-5-6-7-8(9)4-2;1-3-5-7-8(9)6-4-2/h3*8H,3-7H2,1-2H3

InChIKey

ODPGVUPAQDFIER-UHFFFAOYSA-N

Smiles

C([C@@H](CCC)Cl)CCC.C(C[C@@H](CC)Cl)CCC.C(CCCC)C[C@@H](C)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.450 (none)   EST
Water Solubility 12.2 mg/L 25 EST
Vapor Pressure 3.270 mm Hg 25 EST
Henry's Law Constant 0.060 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.92E-12 cm3/molecule-sec 25 EST

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