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

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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
ω	0.5451		Relay (1.0) Calculated Property
ΔfG°	113.12	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	32.75	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	95.73	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	2870.93	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	935.15	K	Relay (1.0) Calculated Property
Tfus	433.38	K	Relay (1.0) Calculated Property
Vc	0.603	m3/kmol	Relay (1.0) Calculated Property

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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