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

InChI

InChI=1S/C18H11ClF5NO4/c1-28-11-3-2-8(19)6-10(11)25-12(26)4-5-13(27)29-7-9-14(20)16(22)18(24)17(23)15(9)21/h2-6H,7H2,1H3,(H,25,26)/b5-4+

InChI Key

VTZGYPOXVRDXHN-SNAWJCMRSA-N

Formula

C18H11ClF5NO4

SMILES

COc1ccc(Cl)cc1NC(=O)C=CC(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

435.73

• 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°	-1026.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1337.28	kJ/mol	Joback Calculated Property
ΔfusH°	58.21	kJ/mol	Joback Calculated Property
ΔvapH°	89.85	kJ/mol	Joback Calculated Property
log10WS	-6.22		Crippen Calculated Property
logPoct/wat	4.282		Crippen Calculated Property
McVol	258.610	ml/mol	McGowan Calculated Property
Pc	1607.71	kPa	Joback Calculated Property
Inp	[2974.00; 2974.00]
Inp	2974.00		NIST
Inp	2974.00		NIST
Tboil	940.15	K	Joback Calculated Property
Tc	1157.05	K	Joback Calculated Property
Tfus	657.87	K	Joback Calculated Property
Vc	1.030	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[740.53; 778.63]	J/mol×K	[940.15; 1157.05]
Cp,gas	740.53	J/mol×K	940.15	Joback Calculated Property
Cp,gas	749.36	J/mol×K	976.30	Joback Calculated Property
Cp,gas	757.18	J/mol×K	1012.45	Joback Calculated Property
Cp,gas	764.01	J/mol×K	1048.60	Joback Calculated Property
Cp,gas	769.85	J/mol×K	1084.75	Joback Calculated Property
Cp,gas	774.72	J/mol×K	1120.90	Joback Calculated Property
Cp,gas	778.63	J/mol×K	1157.05	Joback Calculated Property

Similar Compounds

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

Sources

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

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