Chemical Properties of Dinaphtho[2,1-b;2',3'-d]furan

InChI

InChI=1S/C20H12O/c1-2-7-15-12-19-17(11-14(15)6-1)20-16-8-4-3-5-13(16)9-10-18(20)21-19/h1-12H

InChI Key

KIOUONCGDXYZNB-UHFFFAOYSA-N

Formula

C20H12O

SMILES

c1ccc2cc3c(cc2c1)oc1ccc2ccccc2c13

Molecular Weight¹

268.31

• 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	0.6143		Relay (1.0) Calculated Property
ΔfG°	317.69	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	218.30	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	126.43	kJ/mol	Relay (1.0) Calculated Property
IE	7.37	eV	Relay (1.0) Calculated Property
log10WS	-8.18		Relay (1.0) Calculated Property
logPoct/wat	5.892		Crippen Calculated Property
McVol	201.230	ml/mol	McGowan Calculated Property
Pc	2174.60	kPa	Relay (1.0-beta) Calculated Property
Inp	[447.40; 447.40]
Inp	447.40		NIST
Inp	447.40		NIST
Tboil	753.83	K	Relay (1.0) Calculated Property
Tc	1080.75	K	Relay (1.0) Calculated Property
Tfus	485.86	K	Relay (1.0) Calculated Property
Vc	0.784	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Dinaphtho[2,1-b;2',3'-d]furan.

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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