Chemical Properties of Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 4-chloro-2-methylphenyl ester

InChI

InChI=1S/C18H15Cl2NO4/c1-11-9-12(19)3-5-15(11)25-18(23)8-7-17(22)21-14-10-13(20)4-6-16(14)24-2/h3-10H,1-2H3,(H,21,22)/b8-7+

InChI Key

BKSXDXPWGLCLAS-BQYQJAHWSA-N

Formula

C18H15Cl2NO4

SMILES

COc1ccc(Cl)cc1NC(=O)C=CC(=O)Oc1ccc(Cl)cc1C

Molecular Weight¹

380.22

• 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°	-35.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-338.06	kJ/mol	Joback Calculated Property
ΔfusH°	48.17	kJ/mol	Joback Calculated Property
ΔvapH°	96.34	kJ/mol	Joback Calculated Property
log10WS	-5.46		Crippen Calculated Property
logPoct/wat	4.411		Crippen Calculated Property
McVol	262.000	ml/mol	McGowan Calculated Property
Pc	1956.14	kPa	Joback Calculated Property
Inp	[3347.00; 3347.00]
Inp	3347.00		NIST
Inp	3347.00		NIST
Tboil	966.29	K	Joback Calculated Property
Tc	1209.36	K	Joback Calculated Property
Tfus	647.28	K	Joback Calculated Property
Vc	0.989	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[728.60; 769.40]	J/mol×K	[966.29; 1209.36]
Cp,gas	728.60	J/mol×K	966.29	Joback Calculated Property
Cp,gas	738.16	J/mol×K	1006.80	Joback Calculated Property
Cp,gas	746.57	J/mol×K	1047.31	Joback Calculated Property
Cp,gas	753.85	J/mol×K	1087.82	Joback Calculated Property
Cp,gas	760.06	J/mol×K	1128.34	Joback Calculated Property
Cp,gas	765.23	J/mol×K	1168.85	Joback Calculated Property
Cp,gas	769.40	J/mol×K	1209.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 4-chloro-2-methylphenyl ester.

Sources

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

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