Chemical Properties of Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-fluorophenyl ester

InChI

InChI=1S/C17H14FNO3/c1-19(13-7-3-2-4-8-13)16(20)11-12-17(21)22-15-10-6-5-9-14(15)18/h2-12H,1H3/b12-11+

InChI Key

IHMVIKGMBUEDFP-VAWYXSNFSA-N

Formula

C17H14FNO3

SMILES

CN(C(=O)C=CC(=O)Oc1ccccc1F)c1ccccc1

Molecular Weight¹

299.30

• 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°	-59.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-301.36	kJ/mol	Joback Calculated Property
ΔfusH°	38.17	kJ/mol	Joback Calculated Property
ΔvapH°	75.74	kJ/mol	Joback Calculated Property
log10WS	-3.72		Crippen Calculated Property
logPoct/wat	2.950		Crippen Calculated Property
McVol	219.330	ml/mol	McGowan Calculated Property
Pc	2291.52	kPa	Joback Calculated Property
Inp	[2450.00; 2450.00]
Inp	2450.00		NIST
Inp	2450.00		NIST
Tboil	792.73	K	Joback Calculated Property
Tc	1023.22	K	Joback Calculated Property
Tfus	496.78	K	Joback Calculated Property
Vc	0.818	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[608.49; 672.33]	J/mol×K	[792.73; 1023.22]
Cp,gas	608.49	J/mol×K	792.73	Joback Calculated Property
Cp,gas	621.63	J/mol×K	831.15	Joback Calculated Property
Cp,gas	633.67	J/mol×K	869.56	Joback Calculated Property
Cp,gas	644.68	J/mol×K	907.98	Joback Calculated Property
Cp,gas	654.74	J/mol×K	946.39	Joback Calculated Property
Cp,gas	663.93	J/mol×K	984.81	Joback Calculated Property
Cp,gas	672.33	J/mol×K	1023.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-methyl-N-phenyl-, 2-fluorophenyl ester.

Sources

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

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