Chemical Properties of 3-Furancarboxamide, 2-methyl-N-phenyl- (CAS 24691-80-3)

InChI

InChI=1S/C12H11NO2/c1-9-11(7-8-15-9)12(14)13-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)

InChI Key

JFSPBVWPKOEZCB-UHFFFAOYSA-N

Formula

C12H11NO2

SMILES

Cc1occc1C(=O)Nc1ccccc1

Molecular Weight¹

201.22

CAS

24691-80-3

Other Names

• 2-Methyl-N-phenyl-furan-3-carboxamide
• 2-methyl-3-furanilide
• Fenfuram

• 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	0.5952		Relay (1.0) Calculated Property
ΔfG°	58.18	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-147.78	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	79.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	[-3.30; -3.30]
log10WS	-3.30		Aq. Solubility Prediction
log10WS	-3.30		Estimated Solubility
logPoct/wat	2.840		Crippen Calculated Property
McVol	154.140	ml/mol	McGowan Calculated Property
Pc	4266.95	kPa	Relay (1.0-beta) Calculated Property
Inp	1905.00		NIST
Tboil	595.33	K	Relay (1.0) Calculated Property
Tc	886.80	K	Relay (1.0) Calculated Property
Tfus	382.65	K	Aq. Solubility Prediction
Vc	0.573	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 3-Furancarboxamide, 2-methyl-N-phenyl-.

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
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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