Chemical Properties of Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2,4,6-trichlorophenyl ester

InChI

InChI=1S/C16H9Cl3FNO3/c17-9-7-10(18)16(11(19)8-9)24-15(23)6-5-14(22)21-13-4-2-1-3-12(13)20/h1-8H,(H,21,22)/b6-5+

InChI Key

HTNXBKUIHRNGDU-AATRIKPKSA-N

Formula

C16H9Cl3FNO3

SMILES

O=C(C=CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)Nc1ccccc1F

Molecular Weight¹

388.61

• 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	0.8021		Relay (1.0) Calculated Property
ΔfG°	-153.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-483.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.08	kJ/mol	Joback Calculated Property
ΔvapH°	116.03	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-6.00		Relay (1.0) Calculated Property
logPoct/wat	4.886		Crippen Calculated Property
McVol	241.960	ml/mol	McGowan Calculated Property
Pc	2195.89	kPa	Joback Calculated Property
Inp	[2951.00; 2951.00]
Inp	2951.00		NIST
Inp	2951.00		NIST
Tboil	625.04	K	Relay (1.0) Calculated Property
Tc	982.83	K	Relay (1.0) Calculated Property
Tfus	403.53	K	Relay (1.0) Calculated Property
Vc	0.825	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[617.63; 654.67]	J/mol×K	[934.81; 1179.99]
Cp,gas	617.63	J/mol×K	934.81	Joback Calculated Property
Cp,gas	625.84	J/mol×K	975.67	Joback Calculated Property
Cp,gas	633.16	J/mol×K	1016.54	Joback Calculated Property
Cp,gas	639.64	J/mol×K	1057.40	Joback Calculated Property
Cp,gas	645.34	J/mol×K	1098.26	Joback Calculated Property
Cp,gas	650.33	J/mol×K	1139.12	Joback Calculated Property
Cp,gas	654.67	J/mol×K	1179.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2,4,6-trichlorophenyl ester.

Sources

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

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