Chemical Properties of But-2-enamide, N-(2-fluorophenyl)-3-methyl-

InChI

InChI=1S/C11H12FNO/c1-8(2)7-11(14)13-10-6-4-3-5-9(10)12/h3-7H,1-2H3,(H,13,14)

InChI Key

RMMBRAUAKCYSAN-UHFFFAOYSA-N

Formula

C11H12FNO

SMILES

CC(C)=CC(O)=Nc1ccccc1F

Molecular Weight¹

193.22

• 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	0.6620		Relay (1.0) Calculated Property
ΔfG°	-32.43	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-291.63	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
log10WS	-3.34		Relay (1.0) Calculated Property
logPoct/wat	3.380		Crippen Calculated Property
McVol	151.110	ml/mol	McGowan Calculated Property
Pc	2619.09	kPa	Joback Calculated Property
Inp	[1549.00; 1549.00]
Inp	1549.00		NIST
Inp	1549.00		NIST
Tboil	544.49	K	Relay (1.0) Calculated Property
Tc	766.84	K	Relay (1.0) Calculated Property
Tfus	401.12	K	Relay (1.0) Calculated Property
Vc	0.528	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to But-2-enamide, N-(2-fluorophenyl)-3-methyl-.

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
• Joback Method
• McGowan Method
• NIST Webbook

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