Chemical Properties of Furan, 2-[(2-furyl)-(4-bromophenylamino)methylcarbonyl]

InChI

InChI=1S/C16H12BrNO3/c17-11-5-7-12(8-6-11)18-15(13-3-1-9-20-13)16(19)14-4-2-10-21-14/h1-10,15,18H

InChI Key

BGDXKQNNEOSTAN-UHFFFAOYSA-N

Formula

C16H12BrNO3

SMILES

O=C(c1ccco1)C(Nc1ccc(Br)cc1)c1ccco1

Molecular Weight¹

346.18

• 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	0.6364		Relay (1.0) Calculated Property
ΔfG°	66.12	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-69.93	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	106.19	kJ/mol	Relay (1.0) Calculated Property
IE	7.63	eV	Relay (1.0) Calculated Property
log10WS	-4.87		Relay (1.0) Calculated Property
logPoct/wat	4.671		Crippen Calculated Property
McVol	214.410	ml/mol	McGowan Calculated Property
Pc	3302.82	kPa	Relay (1.0-beta) Calculated Property
Inp	[2439.00; 2439.00]
Inp	2439.00		NIST
Inp	2439.00		NIST
Tboil	676.89	K	Relay (1.0) Calculated Property
Tc	984.25	K	Relay (1.0) Calculated Property
Tfus	403.41	K	Relay (1.0) Calculated Property
Vc	0.777	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Furan, 2-[(2-furyl)-(4-bromophenylamino)methylcarbonyl].

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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