Chemical Properties of Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-ethylhexyl ester

InChI

InChI=1S/C18H24ClNO3/c1-3-5-6-14(4-2)13-23-18(22)12-11-17(21)20-16-9-7-15(19)8-10-16/h7-12,14H,3-6,13H2,1-2H3,(H,20,21)/b12-11+

InChI Key

MYIGZTONFLPUEF-VAWYXSNFSA-N

Formula

C18H24ClNO3

SMILES

CCCCC(CC)COC(=O)C=CC(=O)Nc1ccc(Cl)cc1

Molecular Weight¹

337.84

• 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	0.8574		Relay (1.0) Calculated Property
ΔfG°	-4.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-580.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.39	kJ/mol	Joback Calculated Property
ΔvapH°	104.95	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-5.75		Relay (1.0) Calculated Property
logPoct/wat	4.594		Crippen Calculated Property
McVol	267.650	ml/mol	McGowan Calculated Property
Pc	1619.37	kPa	Joback Calculated Property
Inp	[2896.00; 2896.00]
Inp	2896.00		NIST
Inp	2896.00		NIST
Tboil	647.59	K	Relay (1.0) Calculated Property
Tc	886.26	K	Relay (1.0) Calculated Property
Tfus	337.29	K	Relay (1.0) Calculated Property
Vc	0.910	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[790.41; 859.76]	J/mol×K	[864.38; 1078.35]
Cp,gas	790.41	J/mol×K	864.38	Joback Calculated Property
Cp,gas	804.30	J/mol×K	900.04	Joback Calculated Property
Cp,gas	817.18	J/mol×K	935.70	Joback Calculated Property
Cp,gas	829.12	J/mol×K	971.36	Joback Calculated Property
Cp,gas	840.16	J/mol×K	1007.02	Joback Calculated Property
Cp,gas	850.36	J/mol×K	1042.69	Joback Calculated Property
Cp,gas	859.76	J/mol×K	1078.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-(4-chlorophenyl)-, 2-ethylhexyl ester.

Sources

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

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