Chemical Properties of Benzoyl-furoyl

InChI

InChI=1S/C12H8O3/c13-11(9-5-2-1-3-6-9)12(14)10-7-4-8-15-10/h1-8H

InChI Key

RRHBYDSLXIHTGW-UHFFFAOYSA-N

Formula

C12H8O3

SMILES

O=C(C(=O)c1ccco1)c1ccccc1

Molecular Weight¹

200.19

• 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	0.5637		Relay (1.0) Calculated Property
ΔfG°	-122.47	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-187.26	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	77.91	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-2.97		Relay (1.0) Calculated Property
logPoct/wat	2.345		Crippen Calculated Property
McVol	145.730	ml/mol	McGowan Calculated Property
Pc	3103.13	kPa	Relay (1.0-beta) Calculated Property
Inp	[1660.00; 1660.00]
Inp	1660.00		NIST
Inp	1660.00		NIST
Tboil	584.77	K	Relay (1.0) Calculated Property
Tc	841.51	K	Relay (1.0) Calculated Property
Tfus	342.71	K	Relay (1.0) Calculated Property
Vc	0.567	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Benzoyl-furoyl.

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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