Chemical Properties of Fumaric acid, monoamide, N-(2-fluorophenyl)-, isopropyl ester

InChI

InChI=1S/C13H14FNO3/c1-9(2)18-13(17)8-7-12(16)15-11-6-4-3-5-10(11)14/h3-9H,1-2H3,(H,15,16)/b8-7+

InChI Key

OFWWGYQJWWNCEP-BQYQJAHWSA-N

Formula

C13H14FNO3

SMILES

CC(C)OC(=O)C=CC(=O)Nc1ccccc1F

Molecular Weight¹

251.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfG°	-229.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-474.67	kJ/mol	Joback Calculated Property
ΔfusH°	32.32	kJ/mol	Joback Calculated Property
ΔvapH°	68.56	kJ/mol	Joback Calculated Property
log10WS	-2.93		Crippen Calculated Property
logPoct/wat	2.272		Crippen Calculated Property
McVol	186.730	ml/mol	McGowan Calculated Property
Pc	2467.81	kPa	Joback Calculated Property
Inp	[1982.00; 1982.00]
Inp	1982.00		NIST
Inp	1982.00		NIST
Tboil	711.82	K	Joback Calculated Property
Tc	924.94	K	Joback Calculated Property
Tfus	430.47	K	Joback Calculated Property
Vc	0.713	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[498.72; 562.77]	J/mol×K	[711.82; 924.94]
Cp,gas	498.72	J/mol×K	711.82	Joback Calculated Property
Cp,gas	511.48	J/mol×K	747.34	Joback Calculated Property
Cp,gas	523.36	J/mol×K	782.86	Joback Calculated Property
Cp,gas	534.40	J/mol×K	818.38	Joback Calculated Property
Cp,gas	544.62	J/mol×K	853.90	Joback Calculated Property
Cp,gas	554.06	J/mol×K	889.42	Joback Calculated Property
Cp,gas	562.77	J/mol×K	924.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-(2-fluorophenyl)-, isopropyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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