Chemical Properties of Benzo[1,2-b:4,5-b']bisbenzofuran

InChI

InChI=1S/C18H10O2/c1-3-7-15-11(5-1)13-9-18-14(10-17(13)19-15)12-6-2-4-8-16(12)20-18/h1-10H

InChI Key

RVAFAAJAGUSYCC-UHFFFAOYSA-N

Formula

C18H10O2

SMILES

c1ccc2c(c1)oc1cc3c(cc12)oc1ccccc13

Molecular Weight¹

258.28

Other Names

• 2,2':5',2''-Diepoxy-p-terphenyl
• 1,1':4',1''-Terphenyl, 2,2':5',2''-diepoxy-
• 1,1':4',1''-Terphenyl, 2,2':5',2''-dioxido-
• 2,2':5',2''-Diepoxy-1,1':4',1''-terphenyl
• 2,2':5,2''-Dioxido-1,1':4',1''-terphenyl
• Dibenzo[d,d']benzo[1,2-b; 4,5-b']difuran

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	75.05	kJ/mol	Relay (1.0) Calculated Property
IE	7.73	eV	Relay (1.0) Calculated Property
log10WS	-7.83		Relay (1.0) Calculated Property
logPoct/wat	5.485		Crippen Calculated Property
McVol	183.220	ml/mol	McGowan Calculated Property
Pc	2288.99	kPa	Relay (1.0-beta) Calculated Property
Inp	[410.06; 410.06]
Inp	410.06		NIST
Inp	410.06		NIST
Tboil	723.95	K	Relay (1.0) Calculated Property
Tc	1040.59	K	Relay (1.0) Calculated Property
Tfus	533.79	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Benzo[1,2-b:4,5-b']bisbenzofuran.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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