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Substance Name: Dibenzo-27-crown-9
RN: 61260-08-0
InChIKey: GHYKVVHGPCZVOG-UHFFFAOYSA-N

Molecular Formula

  • C26-H36-O9

Molecular Weight

  • 492.561
 
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Names and Synonyms

Name of Substance

  • Dibenzo-27-crown-9

Systematic Name

  • Dibenzo(b,n)(1,4,7,10,13,16,19,22,25)nonaoxacycloheptacosin, 6,7,9,10,12,13,15,16,23,24,26,27,29,30-tetradecahydro-

Registry Numbers

CAS Registry Number

  • 61260-08-0

System Generated Number

  • 0061260080

Structure Descriptors

InChI

1S/C26H36O9/c1-3-7-25-23(5-1)32-19-15-28-11-9-27-10-12-29-16-20-33-24-6-2-4-8-26(24)35-22-18-31-14-13-30-17-21-34-25/h1-8H,9-22H2

InChIKey

GHYKVVHGPCZVOG-UHFFFAOYSA-N

Smiles

O1CCOCCOCCOc2c(cccc2)OCCOCCOCCOCCOc2c1cccc2

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.63 (none)   EXP
Water Solubility 32.4 mg/L 25 EST
Vapor Pressure 7.18E-13 mm Hg 25 EST
Henry's Law Constant 2.56E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.35E-10 cm3/molecule-sec 25 EST

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