Category
Heterocyclic Organic Compound
Description
Dibenzofuran is a colorless white crystalline solid. (NTP, 1992)
Synonyms
Dibenzo[b,d]furan
Canonical SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3O2
InChI
InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChI Key
TXCDCPKCNAJMEE-UHFFFAOYSA-N
Boiling Point
549 °F at 760 mm Hg (NTP, 1992);287.0 °C;287 °C @ 760 mm Hg
Melting Point
187 to 189 °F (NTP, 1992);86.5 °C;86.5 °C
Density
1.0886 at 210 °F (NTP, 1992);1.0886 @ 99 °C
Solubility
less than 1 mg/mL at 68° F (NTP, 1992);1.84e-05 M;Sol in alcohol and acetone; very soluble in ether;Readily soluble in benzene and acetic acid;In water, 3.1 mg/l @ 25 °C
Color/Form
LEAF OR NEEDLES FROM ALCOHOL;WHITE CRYSTALS;Crystalline solid
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Heat of Vaporization
66.4 kcal/mol at 130-140 °C
Hydrogen Bond Acceptor Count
1
Hydrogen Bond Donor Count
0
LogP
4.12 (LogP);log Kow= 4.12
Monoisotopic Mass
168.0575
Odor
Weak, characteristic odor
Other Experimental
Sublimeable, volatile in steam; dielectric constant = 3.0 at 100 °C;Enthalphy of sublimation = 84.42 kJ/mol;Heat of fusion = 2.27X10+7 J/kmol;Vapor pressure = 0.3310 Pa (2.48X10-3 mm Hg) at 25 °C /Sublimation vapor pressure/;Hydroxyl radical reaction rate constant = 3.90X10-12 cu cm/molecule-sec @ 25 °C
Refractive Index
Index of refraction: 1.6079 @ 99 °C/D
Stability
This compound is sensitive to prolonged exposure to light.
Topological Polar Surface Area
13.1 Ų
Vapor Density
5.8 (NTP, 1992) (Relative to Air);5.8 (Air= 1)
Vapor Pressure
0.00 mmHg;0.00248 mm Hg @ 25 °C
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