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

InChI

InChI=1S/C17H13Cl2NO4/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

PXOYZBRSISBTHA-CMDGGOBGSA-N

Formula

C17H13Cl2NO4

SMILES

COc1ccc(Cl)cc1NC(=O)C=CC(=O)Oc1ccccc1Cl

Molecular Weight¹

366.19

• 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°	-33.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-305.95	kJ/mol	Joback Calculated Property
ΔfusH°	45.97	kJ/mol	Joback Calculated Property
ΔvapH°	93.45	kJ/mol	Joback Calculated Property
log10WS	-4.98		Crippen Calculated Property
logPoct/wat	4.102		Crippen Calculated Property
McVol	247.910	ml/mol	McGowan Calculated Property
Pc	2163.33	kPa	Joback Calculated Property
Inp	[3239.00; 3239.00]
Inp	3239.00		NIST
Inp	3239.00		NIST
Tboil	938.43	K	Joback Calculated Property
Tc	1183.07	K	Joback Calculated Property
Tfus	623.49	K	Joback Calculated Property
Vc	0.932	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[674.22; 715.23]	J/mol×K	[938.43; 1183.07]
Cp,gas	674.22	J/mol×K	938.43	Joback Calculated Property
Cp,gas	683.69	J/mol×K	979.20	Joback Calculated Property
Cp,gas	692.05	J/mol×K	1019.98	Joback Calculated Property
Cp,gas	699.33	J/mol×K	1060.75	Joback Calculated Property
Cp,gas	705.59	J/mol×K	1101.53	Joback Calculated Property
Cp,gas	710.87	J/mol×K	1142.30	Joback Calculated Property
Cp,gas	715.23	J/mol×K	1183.07	Joback Calculated Property

Similar Compounds

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

Sources

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

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