Chemical Properties of Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2-fluorophenyl ester

InChI

InChI=1S/C17H13ClFNO4/c1-23-15-7-6-11(18)10-13(15)20-16(21)8-9-17(22)24-14-5-3-2-4-12(14)19/h2-10H,1H3,(H,20,21)/b9-8+

InChI Key

JORCQXPVUNPIJB-CMDGGOBGSA-N

Formula

C17H13ClFNO4

SMILES

COc1ccc(Cl)cc1NC(=O)C=CC(=O)Oc1ccccc1F

Molecular Weight¹

349.74

• ω : Acentric Factor.
• 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).
• 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	0.8210		Relay (1.0) Calculated Property
ΔfG°	-216.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-609.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.85	kJ/mol	Joback Calculated Property
ΔvapH°	112.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
log10WS	-4.88		Relay (1.0) Calculated Property
logPoct/wat	3.588		Crippen Calculated Property
McVol	237.440	ml/mol	McGowan Calculated Property
Pc	2147.32	kPa	Joback Calculated Property
Inp	[3054.00; 3054.00]
Inp	3054.00		NIST
Inp	3054.00		NIST
Tboil	648.60	K	Relay (1.0) Calculated Property
Tc	957.01	K	Relay (1.0) Calculated Property
Tfus	408.70	K	Relay (1.0) Calculated Property
Vc	0.823	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[662.76; 709.02]	J/mol×K	[900.27; 1134.70]
Cp,gas	662.76	J/mol×K	900.27	Joback Calculated Property
Cp,gas	673.05	J/mol×K	939.34	Joback Calculated Property
Cp,gas	682.26	J/mol×K	978.41	Joback Calculated Property
Cp,gas	690.42	J/mol×K	1017.49	Joback Calculated Property
Cp,gas	697.57	J/mol×K	1056.56	Joback Calculated Property
Cp,gas	703.76	J/mol×K	1095.63	Joback Calculated Property
Cp,gas	709.02	J/mol×K	1134.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2-fluorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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