Chemical Properties of Dibenzo[d,d']benzodifuran

InChI

InChI=1S/C14H8O2/c1-3-7-11-9(5-1)13-14(15-11)10-6-2-4-8-12(10)16-13/h1-8H

InChI Key

DYKMMHALDDEDOU-UHFFFAOYSA-N

Formula

C14H8O2

SMILES

c1ccc2c(c1)oc1c3ccccc3oc21

Molecular Weight¹

208.21

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	32.75	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	94.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
log10WS	-6.25		Relay (1.0) Calculated Property
logPoct/wat	4.332		Crippen Calculated Property
McVol	146.320	ml/mol	McGowan Calculated Property
Pc	2856.10	kPa	Relay (1.0-beta) Calculated Property
Inp	[402.74; 411.42]
Inp	402.74		NIST
Inp	407.65		NIST
Inp	411.42		NIST
Inp	402.74		NIST
Tboil	628.30	K	Relay (1.0) Calculated Property
Tc	935.07	K	Relay (1.0) Calculated Property
Tfus	432.42	K	Relay (1.0) Calculated Property
Vc	0.601	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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 Dibenzo[d,d']benzodifuran.

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

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