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

InChI

InChI=1S/C16H11ClFNO3/c17-11-5-1-4-8-14(11)22-16(21)10-9-15(20)19-13-7-3-2-6-12(13)18/h1-10H,(H,19,20)/b10-9+

InChI Key

BKMKJNOAVCAJBY-MDZDMXLPSA-N

Formula

C16H11ClFNO3

SMILES

O=C(C=CC(=O)Oc1ccccc1Cl)Nc1ccccc1F

Molecular Weight¹

319.71

• 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	0.7376		Relay (1.0) Calculated Property
ΔfG°	-110.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-457.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.46	kJ/mol	Joback Calculated Property
ΔvapH°	107.14	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-4.70		Relay (1.0) Calculated Property
logPoct/wat	3.579		Crippen Calculated Property
McVol	217.480	ml/mol	McGowan Calculated Property
Pc	2426.65	kPa	Joback Calculated Property
Inp	[2682.00; 2682.00]
Inp	2682.00		NIST
Inp	2682.00		NIST
Tboil	621.54	K	Relay (1.0) Calculated Property
Tc	951.69	K	Relay (1.0) Calculated Property
Tfus	395.96	K	Relay (1.0) Calculated Property
Vc	0.752	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[584.79; 634.92]	J/mol×K	[849.99; 1088.74]
Cp,gas	584.79	J/mol×K	849.99	Joback Calculated Property
Cp,gas	595.42	J/mol×K	889.78	Joback Calculated Property
Cp,gas	605.04	J/mol×K	929.57	Joback Calculated Property
Cp,gas	613.74	J/mol×K	969.37	Joback Calculated Property
Cp,gas	621.57	J/mol×K	1009.16	Joback Calculated Property
Cp,gas	628.61	J/mol×K	1048.95	Joback Calculated Property
Cp,gas	634.92	J/mol×K	1088.74	Joback Calculated Property

Similar Compounds

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

Sources

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

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