Chemical Properties of Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, 2-ethylhexyl ester

InChI

InChI=1S/C22H33NO5/c1-5-7-8-17(6-2)16-28-22(25)12-11-21(24)23-14-13-18-9-10-19(26-3)20(15-18)27-4/h9-12,15,17H,5-8,13-14,16H2,1-4H3,(H,23,24)/b12-11+

InChI Key

FYFOFPIFRFAAMA-VAWYXSNFSA-N

Formula

C22H33NO5

SMILES

CCCCC(CC)COC(=O)C=CC(=O)NCCc1ccc(OC)c(OC)c1

Molecular Weight¹

391.50

• 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	1.0534		Relay (1.0) Calculated Property
ΔfG°	-178.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-863.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.54	kJ/mol	Joback Calculated Property
ΔvapH°	121.38	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-4.89		Relay (1.0) Calculated Property
logPoct/wat	3.678		Crippen Calculated Property
McVol	323.510	ml/mol	McGowan Calculated Property
Pc	1204.80	kPa	Joback Calculated Property
Inp	[3274.00; 3274.00]
Inp	3274.00		NIST
Inp	3274.00		NIST
Tboil	683.15	K	Relay (1.0) Calculated Property
Tc	901.83	K	Relay (1.0) Calculated Property
Tfus	348.81	K	Relay (1.0) Calculated Property
Vc	1.134	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1057.34; 1124.19]	J/mol×K	[968.29; 1186.61]
Cp,gas	1057.34	J/mol×K	968.29	Joback Calculated Property
Cp,gas	1071.90	J/mol×K	1004.68	Joback Calculated Property
Cp,gas	1085.05	J/mol×K	1041.06	Joback Calculated Property
Cp,gas	1096.82	J/mol×K	1077.45	Joback Calculated Property
Cp,gas	1107.25	J/mol×K	1113.84	Joback Calculated Property
Cp,gas	1116.36	J/mol×K	1150.23	Joback Calculated Property
Cp,gas	1124.19	J/mol×K	1186.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, 2-ethylhexyl ester.

Sources

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

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