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

• 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	0.9198		Relay (1.0) Calculated Property
ΔfG°	-1026.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1226.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.21	kJ/mol	Joback Calculated Property
ΔvapH°	113.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-7.04		Relay (1.0) 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	656.36	K	Relay (1.0) Calculated Property
Tc	916.79	K	Relay (1.0) Calculated Property
Tfus	411.46	K	Relay (1.0) Calculated Property
Vc	0.901	m3/kmol	Relay (1.0) 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.