Chemical Properties of 1,3-Diphenylisobenzofuran

InChI

InChI=1S/C20H14O/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14H

InChI Key

ZKSVYBRJSMBDMV-UHFFFAOYSA-N

Formula

C20H14O

SMILES

c1ccc(-c2oc(-c3ccccc3)c3ccccc23)cc1

Molecular Weight¹

270.33

Other Names

• Diphenylisobenzofuran
• 1,4-Diphenyl-2,3-benzofuran
• Isobenzofuran, 1,3-diphenyl-
• 1,3-Diphenylbenzo[c]furan

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• 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	0.5731		Relay (1.0) Calculated Property
ΔcH°solid	-9952.00 ± 9.10	kJ/mol	NIST
ΔfG°	318.99	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	203.00 ± 10.00	kJ/mol	NIST
ΔfH°solid	81.00 ± 9.20	kJ/mol	NIST
ΔsubH°	[121.50; 122.00]	kJ/mol
ΔsubH°	121.50 ± 0.90	kJ/mol	NIST
ΔsubH°	122.00	kJ/mol	NIST
ΔvapH°	113.50	kJ/mol	Relay (1.0) Calculated Property
IE	7.68	eV	Relay (1.0) Calculated Property
log10WS	-6.46		Relay (1.0) Calculated Property
logPoct/wat	5.767		Crippen Calculated Property
McVol	212.090	ml/mol	McGowan Calculated Property
Pc	2249.36	kPa	Relay (1.0-beta) Calculated Property
Tboil	698.98	K	Relay (1.0) Calculated Property
Tc	996.84	K	Relay (1.0) Calculated Property
Tfus	378.79	K	Relay (1.0) Calculated Property
Vc	0.806	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Diphenylisobenzofuran.

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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