Chemical Properties of Fumaric acid, monoamide, N-(2-bromophenyl)-, 3-fluorophenyl ester

InChI

InChI=1S/C16H11BrFNO3/c17-13-6-1-2-7-14(13)19-15(20)8-9-16(21)22-12-5-3-4-11(18)10-12/h1-10H,(H,19,20)/b9-8+

InChI Key

JQMXYAJTDHWLIV-CMDGGOBGSA-N

Formula

C16H11BrFNO3

SMILES

O=C(C=CC(=O)Oc1cccc(F)c1)Nc1ccccc1Br

Molecular Weight¹

364.17

• 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	0.7544		Relay (1.0) Calculated Property
ΔfG°	-84.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-432.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.55	kJ/mol	Joback Calculated Property
ΔvapH°	107.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-5.24		Relay (1.0) Calculated Property
logPoct/wat	3.688		Crippen Calculated Property
McVol	222.740	ml/mol	McGowan Calculated Property
Pc	2701.41	kPa	Joback Calculated Property
Inp	[2752.00; 2752.00]
Inp	2752.00		NIST
Inp	2752.00		NIST
Tboil	648.58	K	Relay (1.0) Calculated Property
Tc	956.39	K	Relay (1.0) Calculated Property
Tfus	392.23	K	Relay (1.0) Calculated Property
Vc	0.759	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[593.11; 641.77]	J/mol×K	[878.72; 1124.02]
Cp,gas	593.11	J/mol×K	878.72	Joback Calculated Property
Cp,gas	603.29	J/mol×K	919.60	Joback Calculated Property
Cp,gas	612.52	J/mol×K	960.49	Joback Calculated Property
Cp,gas	620.91	J/mol×K	1001.37	Joback Calculated Property
Cp,gas	628.52	J/mol×K	1042.26	Joback Calculated Property
Cp,gas	635.45	J/mol×K	1083.14	Joback Calculated Property
Cp,gas	641.77	J/mol×K	1124.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-(2-bromophenyl)-, 3-fluorophenyl ester.

Sources

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

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