Chemical Properties of Fumaric acid, 4-cyanophenyl 2-ethylhexyl ester

InChI

InChI=1S/C19H23NO4/c1-3-5-6-15(4-2)14-23-18(21)11-12-19(22)24-17-9-7-16(13-20)8-10-17/h7-12,15H,3-6,14H2,1-2H3/b12-11+

InChI Key

WMOIYLCWNVVWBQ-VAWYXSNFSA-N

Formula

C19H23NO4

SMILES

CCCCC(CC)COC(=O)C=CC(=O)Oc1ccc(C#N)cc1

Molecular Weight¹

329.39

• 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°	-45.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.21	kJ/mol	Joback Calculated Property
ΔfusH°	42.38	kJ/mol	Joback Calculated Property
ΔvapH°	89.19	kJ/mol	Joback Calculated Property
log10WS	-4.80		Crippen Calculated Property
logPoct/wat	3.779		Crippen Calculated Property
McVol	266.770	ml/mol	McGowan Calculated Property
Pc	1480.43	kPa	Joback Calculated Property
Inp	[2527.00; 2527.00]
Inp	2527.00		NIST
Inp	2527.00		NIST
Tboil	924.16	K	Joback Calculated Property
Tc	1144.62	K	Joback Calculated Property
Tfus	532.06	K	Joback Calculated Property
Vc	1.040	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[814.98; 874.15]	J/mol×K	[924.16; 1144.62]
Cp,gas	814.98	J/mol×K	924.16	Joback Calculated Property
Cp,gas	827.42	J/mol×K	960.90	Joback Calculated Property
Cp,gas	838.77	J/mol×K	997.65	Joback Calculated Property
Cp,gas	849.09	J/mol×K	1034.39	Joback Calculated Property
Cp,gas	858.39	J/mol×K	1071.13	Joback Calculated Property
Cp,gas	866.74	J/mol×K	1107.87	Joback Calculated Property
Cp,gas	874.15	J/mol×K	1144.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 4-cyanophenyl 2-ethylhexyl ester.

Sources

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

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